Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70991658

Structure

InChI Key NDYOVCQABQIDNF-UHFFFAOYSA-N
Smiles NCCCN(CCCN)CCCN(C)C
InChI
InChI=1/C11H28N4/c1-14(2)8-5-11-15(9-3-6-12)10-4-7-13/h3-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H28N4
Molecular Weight 216.23
AlogP -0.06
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 58.52
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 71326-30-2
NORMAN SUSDAT
PubChem 3018099