Marvin  06241314382D          

  7  6  0  0  0  0            999 V2000
    6.7887   -5.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727   -5.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5046   -5.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566   -5.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2207   -5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407   -5.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9367   -5.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <ID>
CHEBI:5712

> <NAME>
1-hexanamine

> <DEFINITION>
A 6-carbon primary aliphatic amine.

> <STAR>
3

> <SYNONYM>
N-hexylamine; Mono-n-hexylamine; Hexylamine; 1-aminohexane

> <IUPAC_NAME>
hexan-1-amine

> <FORMULA>
C6H15N

> <MASS>
101.19000

> <MONOISOTOPIC_MASS>
101.12045

> <CHARGE>
0

> <SMILES>
CCCCCCN

> <INCHI>
InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3

> <INCHIKEY>
BMVXCPBXGZKUPN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
111-26-2

> <REAXYS_REGISTRY_NUMBER>
1731298

> <CHEMIDPLUS>
111-26-2

> <KEGG_COMPOUND_ACCESSION>
C08306

> <KNAPSACK_ACCESSION>
C00001413

$$$$