N,N-dimethylhistamine   Click here for help

GtoPdb Ligand ID: 1270

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 3
Topological polar surface area 31.92
Molecular weight 139.11
XLogP -0.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCc1[nH]cnc1)C
Isomeric SMILES CN(CCc1[nH]cnc1)C
InChI InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)
InChI Key ZJDIMSMQXMWMCF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(3H-imidazol-4-yl)-N,N-dimethylethanamine
Database Links Click here for help
ChEBI CHEBI:110343
ChEMBL Ligand CHEMBL12704
GtoPdb PubChem SID 135650400
PubChem CID 12656
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