Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U0601F31XH
EPA CompTox DTXSID0044943

Structure

InChI Key PMHXGHYANBXRSZ-UHFFFAOYSA-N
Smiles CN(C)CCN1CCOCC1
InChI
InChI=1S/C8H18N2O/c1-9(2)3-4-10-5-7-11-8-6-10/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18N2O1
Molecular Weight 158.14
AlogP -0.12
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 15.71
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4385-05-1
NORMAN SUSDAT
FDA SRS U0601F31XH
PubChem 78091
ChemSpider 70469.0