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

Structure

InChI Key BOJURNNKEFVIKV-MDZDMXLPSA-N
Smiles CCCCCCCCC=CCCCCCCN
InChI
InChI=1S/C16H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10H,2-8,11-17H2,1H3/b10-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H33N1
Molecular Weight 239.26
AlogP 5.2
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 26.02
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 68155-38-4
NORMAN SUSDAT