Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FB3LR8GN9P
EPA CompTox DTXSID60186839

Structure

InChI Key DSSKLTAHHALFRW-UHFFFAOYSA-N
Smiles C1CCC(CC1)N1CCCCC1
InChI
InChI=1S/C11H21N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11H,1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21N1
Molecular Weight 167.17
AlogP 2.81
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 3319-01-5
NORMAN SUSDAT
FDA SRS FB3LR8GN9P
PubChem 18724
ChemSpider 17680.0