Molecular Details
DICL_CP_0309844
- 3,5-dimethyladamantan-1-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309844
PubChem CID
Molecular Formula
C12H21N Molecular Weight
179.307 g/mol
Synonyms/Alias
[memantine; 19982-08-2; 3;5-dimethyladamantan-1-amine; 1-Amino-3;5-dimethyladamantane; 1;3-Dimethyl-5-adamantanamine; Memantina; 3;5-Dimethyl-1-adamantanamine; alzantin; Memantinum; 3;5-Dimethyl-1-ami...
InChI Key
BUGYDGFZZOZRHP-UHFFFAOYSA-N
InChI
InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
IUPAC Name
3,5-dimethyladamantan-1-amine
CAS Number
19982-08-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
13 15 0 0 0 0 0 0 0 0999 V2000
-0.7069 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1230 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5442 -0...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2B
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >100000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay ([3H] ifenprodil)
Test Species
Rattus norvegicus cortex membranes
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
0
logP
2.6941
Complexity
54.3244
TPSA (Ų)
26.02
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
4