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

Structure

InChI Key LWXKAVPXEDNHLL-UHFFFAOYSA-N
Smiles CCCCC(C)C=C1CN2CCCC2C(C)(O)C1O
InChI
InChI=1S/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H29N1O2
Molecular Weight 267.22
AlogP 2.33
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 43.7
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 73376-38-2
NORMAN SUSDAT