Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20885093

Structure

InChI Key WNLWBCIUNCAMPH-UHFFFAOYSA-N
Smiles NCC(N(C)C)C
InChI
InChI=1/C5H14N2/c1-5(4-6)7(2)3/h5H,4,6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H14N2
Molecular Weight 102.12
AlogP -0.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.26
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 19764-58-0
NORMAN SUSDAT
PubChem 89217