Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30916882

Structure

InChI Key CEZLLTCGOGRYHF-UHFFFAOYSA-N
Smiles NCCNCCNCC(CC)CCCC
InChI
InChI=1/C12H29N3/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12,14-15H,3-11,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H29N3
Molecular Weight 215.24
AlogP 1.34
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 50.08
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 93962-95-9
NORMAN SUSDAT
PubChem 3023073