dimethylamine   

GtoPdb Ligand ID: 5177

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 12.03
Molecular weight 45.06
XLogP -0.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNC
Isomeric SMILES CNC
InChI InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
InChI Key ROSDSFDQCJNGOL-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
dimethylamine
Database Links
CAS Registry No. 124-40-3
ChEBI CHEBI:17170
ChEMBL Ligand CHEMBL120433
GtoPdb PubChem SID 178101867
PubChem CID 674
RCSB PDB Ligand DMN
Search Google for chemical match using the InChIKey ROSDSFDQCJNGOL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ROSDSFDQCJNGOL
Search UniChem for chemical match using the InChIKey ROSDSFDQCJNGOL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ROSDSFDQCJNGOL
Wikipedia Dimethylamine