Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80928132

Structure

InChI Key HWMMYAWUTCKNKH-UHFFFAOYSA-N
Smiles N(CCCCCCNC1CCCCC1)C2CCCCC2
InChI
InChI=1/C18H36N2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h17-20H,1-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H36N2
Molecular Weight 280.29
AlogP 4.39
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 24.06
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 13348-41-9
NORMAN SUSDAT
PubChem 83366