Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W86TJN77CZ
EPA CompTox DTXSID70147375

Structure

InChI Key RUPSPYXFXWDVBV-UHFFFAOYSA-N
Smiles CN(C)CCN1CCN(CCN(C)C)CC1
InChI
InChI=1S/C12H28N4/c1-13(2)5-7-15-9-11-16(12-10-15)8-6-14(3)4/h5-12H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H28N4
Molecular Weight 228.23
AlogP -0.27
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 12.96
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 10586-98-8
NORMAN SUSDAT
FDA SRS W86TJN77CZ
PubChem 82745
ChemSpider 74671.0