Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00192136

Structure

InChI Key ZINLVDIYZWIFLG-UHFFFAOYSA-N
Smiles CCCCCCCCN(CCCN)CCCCCCCC
InChI
InChI=1S/C19H42N2/c1-3-5-7-9-11-13-17-21(19-15-16-20)18-14-12-10-8-6-4-2/h3-20H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H42N2
Molecular Weight 298.33
AlogP 5.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 17.0
Polar Surface Area 29.26
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 38886-11-2
NORMAN SUSDAT
PubChem 13956018