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

Structure

InChI Key XURVSFNNJNOMQW-UHFFFAOYSA-N
Smiles O1CCN(C=CC(C)CCC=C(C)C)CC1
InChI
InChI=1/C14H25NO/c1-13(2)5-4-6-14(3)7-8-15-9-11-16-12-10-15/h5,7-8,14H,4,6,9-12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H25NO
Molecular Weight 223.19
AlogP 3.21
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 12.47
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 42822-94-6
NORMAN SUSDAT
PubChem 3016385