N-[3H]α-methylhistamine   

GtoPdb Ligand ID: 1240

Synonyms: [3H]-Na-methylhistamine | [3H]NAMH
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 40.71
Molecular weight 125.1
XLogP -0.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNCCc1cnc[nH]1
Isomeric SMILES CNCCc1cnc[nH]1
InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChI Key PHSPJQZRQAJPPF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-(3H-imidazol-4-yl)-N-methylethanamine
Synonyms
[3H]-Na-methylhistamine | [3H]NAMH
Database Links
ChEMBL Ligand CHEMBL268490
GtoPdb PubChem SID 135650398
PubChem CID 912
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