Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00192631

Structure

InChI Key CJNWCWVQGCSQRA-SFYZADRCSA-N
Smiles C1CC2CCCNC2C1
InChI
InChI=1S/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2/t7-,8+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15N1
Molecular Weight 125.12
AlogP 1.54
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 39494-05-8
NORMAN SUSDAT
PubChem 1380802
ChemSpider 88903.0