Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80978450

Structure

InChI Key YCWVTMPODMQZHM-UHFFFAOYSA-N
Smiles NCCCN(CCN(C)C)CCCN
InChI
InChI=1/C10H26N4/c1-13(2)9-10-14(7-3-5-11)8-4-6-12/h3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H26N4
Molecular Weight 202.22
AlogP -0.45
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 58.52
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 62787-29-5
NORMAN SUSDAT
PubChem 3017360