2-methylpentane-1,5-diamine

1,5-Diamino-2-methylpentane
1,5-Pentanediamine, 2-methyl-
2-Methyl-1,5-diaminopentane
2-Methyl-1,5-pentamethylenediamine
2-Methyl-1,5-pentanediamine
2-Methylpentamethylenediamine
2-Methylpentanediamine
Dytek A

Property	Value
InChI2D key string chemrof:inchi2d_key_string	JZUHIOJYCPIVLQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3
IUPAC name chemrof:IUPAC_name	2-methylpentane-1,5-diamine
Molecular formula chemrof:molecular_formula	C6H16N2
Molecular mass chemrof:molecular_mass	116.208
Monoisotopic mass chemrof:monoisotopic_mass	116.131349
SMILES string chemrof:smiles_string	CC(CN)CCCN

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=15520-10-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.035.945	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5027772	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561766	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0FYC3Y758A	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.676J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/85862	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27236722	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/2-Methylpentamethylenediamine	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
1a2af466-b67e-41c6-9704-bc774a36d044	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
1bbfccdf-840c-4d0f-96c1-45e903959fe4	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
a929dafc-0c0d-410d-bcb0-cb19f6e93137	Environmental → Air → Indoor	EF 3.1	kg	4
b05d0c66-897c-44c4-959b-0dca6132ea15	Environmental → Air → Long-term	EF 3.1	kg	0
6554a6a0-7e0a-4b2c-8942-a5cbcd58e568	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
874c6851-2432-47e7-806a-66647c6af4f8	Environmental → Air → Unknown	EF 3.1	kg	4
d8636462-d7f5-4ec2-987c-9fcc2b22039d	Environmental → Ground → Agricultural	EF 3.1	kg	4
8bed00b9-8191-40ef-89e3-b0bb1af0dd72	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
6e316c17-89d0-466a-ad65-3bb7f1e1e966	Environmental → Ground → Unknown	EF 3.1	kg	4
cd2d6ccd-670c-4b95-a4a1-6c836a031d71	Environmental → Water → Long-term	EF 3.1	kg	0
db1cddaf-2912-4e93-a066-99f0868aedb7	Environmental → Water → Ocean	EF 3.1	kg	4
57ef076b-35a1-405f-93d0-b0ced0898379	Environmental → Water → Surface water	EF 3.1	kg	4
310e2b55-0f9b-43f6-a5da-d0feac9a4c8f	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-5b61227f669a2ffb",
  "prefLabel": [
    {
      "@value": "2-methylpentane-1,5-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,5-Diamino-2-methylpentane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15520-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,5-Pentanediamine, 2-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15520-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1,5-diaminopentane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15520-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1,5-pentamethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15520-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1,5-pentanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15520-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methylpentamethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15520-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methylpentanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15520-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dytek A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15520-10-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H16N2"
      ],
      "attested_by": {
        "C6H16N2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:85862"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CN)CCCN"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JZUHIOJYCPIVLQ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "JZUHIOJYCPIVLQ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:85862"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CN)CCCN"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(CN)CCCN"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-methylpentane-1,5-diamine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CN)CCCN"
          ]
        }
      ],
      "attested_by": {
        "CC(CN)CCCN": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-methylpentane-1,5-diamine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CN)CCCN"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-methylpentane-1,5-diamine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-methylpentane-1,5-diamine"
        ]
      },
      "attested_by": {
        "2-methylpentane-1,5-diamine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        116.208
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CCCN)CN"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CN)CCCN"
          ]
        }
      ],
      "attested_by": {
        "116.208": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        116.131349
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CCCN)CN"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CN)CCCN"
          ]
        }
      ],
      "attested_by": {
        "116.131349": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.676J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:85862;CAS:15520-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15520-10-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.035.945",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:85862;CAS:15520-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15520-10-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "15520-10-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5027772",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:85862;CAS:15520-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15520-10-2]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/2-Methylpentamethylenediamine",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:85862;CAS:15520-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15520-10-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0FYC3Y758A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:85862;CAS:15520-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15520-10-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/85862",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:85862;CAS:15520-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[15520-10-2]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561766",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:85862;CAS:15520-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15520-10-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27236722",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:85862;CAS:15520-10-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[15520-10-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1a2af466-b67e-41c6-9704-bc774a36d044",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "15520-10-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=15520-10-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "239-556-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=239-556-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

2-methylpentane-1,5-diamine

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard