Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90983156

Structure

InChI Key GXBUDKQFSZDRHN-UHFFFAOYSA-N
Smiles C(=NCCCN(CC)CC)=NC(C)C
InChI
InChI=1/C11H23N3/c1-5-14(6-2)9-7-8-12-10-13-11(3)4/h11H,5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23N3
Molecular Weight 197.19
AlogP 2.3
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 27.96
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 64527-57-7
NORMAN SUSDAT
PubChem 20542240