Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J6CAH5XM5L
EPA CompTox DTXSID50152402

Structure

InChI Key CDODDZJCEADUQQ-UHFFFAOYSA-N
Smiles CC1(C)CCCNC1
InChI
InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1
Molecular Weight 113.12
AlogP 1.4
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1193-12-0
NORMAN SUSDAT
FDA SRS J6CAH5XM5L
PubChem 70942
ChemSpider 64104.0