Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20539044

Structure

InChI Key JHCBFGGESJQAIQ-UHFFFAOYSA-N
Smiles CC1CC(CC2CC(C)C(N)C(C)C2)CC(C)C1N
InChI
InChI=1S/C17H34N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h10-17H,5-9,18-19H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34N2
Molecular Weight 266.27
AlogP 3.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 52.04
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 65962-45-0
NORMAN SUSDAT
PubChem 13387417
ChemSpider 10626172.0