N-α-methylhistamine   Click here for help

GtoPdb Ligand ID: 1239

Abbreviated name: NAMH
Synonyms: N-α-MeHA
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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 Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(3H-imidazol-4-yl)-N-methylethanamine
Synonyms Click here for help
N-α-MeHA
Database Links Click here for help
CAS Registry No. 673-50-7 (source: Scifinder)
ChEMBL Ligand CHEMBL268490
GtoPdb PubChem SID 135650394
PubChem CID 912
Search Google for chemical match using the InChIKey PHSPJQZRQAJPPF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PHSPJQZRQAJPPF
Search UniChem for chemical match using the InChIKey PHSPJQZRQAJPPF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PHSPJQZRQAJPPF
Wikipedia Alpha-Methylhistamine