Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0071091

Structure

InChI Key MKLOLLWXCNJJKG-UHFFFAOYSA-N
Smiles C1C=CCN1C1CCCCC1
InChI
InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h4-5,10H,1-3,6-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17N1
Molecular Weight 151.14
AlogP 2.19
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 68109-75-1
NORMAN SUSDAT
PubChem 106590
ChemSpider 95945.0