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

Structure

InChI Key CVZRBKATNMXYIN-UHFFFAOYSA-N
Smiles CCCNCCCCCCCCCCC(C)C
InChI
InChI=1S/C16H35N/c1-4-14-17-15-12-10-8-6-5-7-9-11-13-16(2)3/h16-17H,4-15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H35N1
Molecular Weight 241.28
AlogP 5.15
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 12.03
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 68909-31-9
NORMAN SUSDAT