Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1074913

Structure

InChI Key UOQYWMZLTNEIFI-UHFFFAOYSA-N
Smiles OCCN(C)CCCN
InChI
InChI=1/C6H16N2O/c1-8(5-6-9)4-2-3-7/h9H,2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H16N2O
Molecular Weight 132.13
AlogP -0.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 49.49
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 41999-70-6
NORMAN SUSDAT
PubChem 11434970