Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XFX99FC5VI
EPA CompTox DTXSID2057607

Structure

InChI Key SBYHFKPVCBCYGV-UHFFFAOYSA-N
Smiles C1CN2CCC1CC2
InChI
InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1
Molecular Weight 111.1
AlogP 1.1
Hydrogen Bond Acceptor 1.0
Polar Surface Area 3.24
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 100-76-5
NORMAN SUSDAT
FDA SRS XFX99FC5VI
PubChem 7527
ChemSpider 7246.0