dimethylethylamine   Click here for help

GtoPdb Ligand ID: 5523

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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 3.24
Molecular weight 73.09
XLogP 0.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN(C)C
Isomeric SMILES CCN(C)C
InChI InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3
InChI Key DAZXVJBJRMWXJP-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
N,N-Dimethylethanamine
Database Links Click here for help
CAS Registry No. 598-56-1 (source: Scifinder)
ChEMBL Ligand CHEMBL609099
GtoPdb PubChem SID 178102166
PubChem CID 11723
Search Google for chemical match using the InChIKey DAZXVJBJRMWXJP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DAZXVJBJRMWXJP
Search UniChem for chemical match using the InChIKey DAZXVJBJRMWXJP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DAZXVJBJRMWXJP
Wikipedia N,N-Dimethylethylamine