Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90887125

Structure

InChI Key MXRVPBVPWKZJCS-UHFFFAOYSA-N
Smiles N#CC=CC(C)CCCCCCCC
InChI
InChI=1/C13H23N/c1-3-4-5-6-7-8-10-13(2)11-9-12-14/h9,11,13H,3-8,10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H23N
Molecular Weight 193.18
AlogP 4.45
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 23.79
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 68039-75-8
NORMAN SUSDAT
PubChem 107075