Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UTV19LFB58
EPA CompTox DTXSID6021799

Structure

InChI Key CIXSDMKDSYXUMJ-UHFFFAOYSA-N
Smiles CCN(CC)C1CCCCC1
InChI
InChI=1S/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21N1
Molecular Weight 155.17
AlogP 2.66
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 91-65-6
NORMAN SUSDAT
FDA SRS UTV19LFB58
PubChem 61571
ChemSpider 55484.0