N-methylhistamine   Click here for help

GtoPdb Ligand ID: 1242

Synonyms: 1-methylhistamine | tele-methylhistamine
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 43.84
Molecular weight 125.1
XLogP -0.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cn1cc(nc1)CCN
Isomeric SMILES Cn1cc(nc1)CCN
InChI InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
InChI Key FHQDWPCFSJMNCT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(1-methylimidazol-4-yl)ethanamine
Synonyms Click here for help
1-methylhistamine | tele-methylhistamine
Database Links Click here for help
CAS Registry No. 501-75-7
ChEBI CHEBI:29009
ChEMBL Ligand CHEMBL507
GtoPdb PubChem SID 135650397
PubChem CID 3614
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Search UniChem for chemical match using the InChIKey FHQDWPCFSJMNCT-UHFFFAOYSA-N
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Wikipedia Alpha-Methylhistamine