Molecular Details
DICL_CP_0309848
- 3,5-dimethyladamantan-1-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309848
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
34 36 0 0 0 0 0 0 0 0999 V2000
-2.8058 -0.8372 -0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 -0.3160 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4552 0.261...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1/2A
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 1000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
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