Molecular Details
DICL_CP_0307560
- N,N-dimethyl-1-pyridin-3-ylmethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307560
PubChem CID
Molecular Formula
C8H12N2 Molecular Weight
136.198 g/mol
Synonyms/Alias
[2055-21-2; Dimethyl-pyridin-3-ylmethyl-amine; N;N-Dimethyl-1-(pyridin-3-yl)methanamine; N;N-dimethyl-1-pyridin-3-ylmethanamine; 3-Pyridinemethanamine; N;N-dimethyl-; dimethyl(pyridin-3-ylmethyl)amine...
InChI Key
SLZCOYDOFRTTHF-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c1-10(2)7-8-4-3-5-9-6-8/h3-6H,7H2,1-2H3
IUPAC Name
N,N-dimethyl-1-pyridin-3-ylmethanamine
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 22 0 0 0 0 0 0 0 0999 V2000
1.5112 1.3701 0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 0.0408 -0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9210 -0.542...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 540 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay ([3H] (-)-Nicotine)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
2
logP
1.1432
Complexity
41.628
TPSA (Ų)
16.13
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
1