Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80880468

Structure

InChI Key NYRMZTSOGRXXIL-UHFFFAOYSA-N
Smiles N#CCCNCCCOCCCCCCCCCCCCC
InChI
InChI=1/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-22-19-14-17-21-16-13-15-20/h21H,2-14,16-19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H38N2O
Molecular Weight 310.3
AlogP 5.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 45.05
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 68239-20-3
NORMAN SUSDAT
PubChem 109895