Mrv0541 02251416522D          

  6  5  0  0  0  0            999 V2000
    3.4694   -2.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1851   -2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9008   -2.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070   -2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441   -2.9503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9008   -1.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <ID>
CHEBI:43689

> <NAME>
isopentylamine

> <DEFINITION>
A primary aliphatic amine that is butan-1-amine carrying a methyl substituent at position 3.

> <STAR>
3

> <SYNONYM>
Leucamine; Isovalerylamine; Isopentylamine; Isopentylamine; Isobutylcarbylamine; Isoamylamine; gamma-Isoamylamine; 3-Methylbutanamine; 3,3-Dimethylpropylamine; 1-Amino-3-methylbutane

> <IUPAC_NAME>
3-methylbutan-1-amine

> <FORMULA>
C5H13N

> <MASS>
87.16340

> <MONOISOTOPIC_MASS>
87.10480

> <CHARGE>
0

> <SMILES>
CC(C)CCN

> <INCHI>
InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3

> <INCHIKEY>
BMFVGAAISNGQNM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
107-85-7

> <REAXYS_REGISTRY_NUMBER>
1209230

> <CHEMIDPLUS>
107-85-7

> <KEGG_COMPOUND_ACCESSION>
C02640

> <NIST_CHEMISTRY_WEBBOOK>
107-85-7

> <PDBECHEM_ACCESSION>
LEN

> <PUBMED_CITATION>
24323937; 358746; 7672735

$$$$