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

Structure

InChI Key VBFBQEURBQANIX-UHFFFAOYSA-N
Smiles OCC1(N=C(OC1)CCCCCCCCCCC)CC
InChI
InChI=1/C17H33NO2/c1-3-5-6-7-8-9-10-11-12-13-16-18-17(4-2,14-19)15-20-16/h19H,3-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H33NO2
Molecular Weight 283.25
AlogP 4.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 41.82
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 24448-07-5
NORMAN SUSDAT
PubChem 91186