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Molecule
Memantine
CAS: 19982-08-2 · C12H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 19982-08-2
- Molecular Formula
- C12H21N
- Molecular Mass
- 179.31 g/mol
Identifiers
CAS Registry Number
19982-08-2
SMILES
CC12CC3CC(C)(C1)CC(N)(C3)C2
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
Names and Synonyms
- Memantine Common Name
- Tricyclo[3.3.1.13,7]decan-1-amine, 3,5-dimethyl- Synonym
- 1-Adamantanamine, 3,5-dimethyl- Synonym
- 3,5-Dimethyltricyclo[3.3.1.13,7]decan-1-amine Synonym
- 1,3-Dimethyl-5-aminoadamantane Synonym
- 3,5-Dimethyl-1-adamantylamine Synonym
- D 145 Synonym
- 1-Amino-3,5-dimethyladamantane Synonym
- 1,3-Dimethyl-5-adamantanamine Synonym
- Memantine Synonym
- D 145 (sympathomimetic) Synonym
- DMAA Synonym
- DRG 0267 Synonym
- Memantina Synonym
- Alzantin Synonym
- 3,5-Dimethyl-1-adamantanamine Synonym
- 3,5-Dimethyl-adamantan-1-ylamine Synonym
- Nemdatine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 179.31 g/mol | CAS Common Chemistry |
| 179.307 g/mol | RDKit | |
| Canonical SMILES | NC12CC3CC(C)(C1)CC(C)(C3)C2 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=BUGYDGFZZOZRHP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 258 °C | CAS Common Chemistry |
| Name | Memantine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.6941000000000006 | RDKit |
| 2.6941 | RDKit | |
| Molar Refractivity | 54.32440000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 179.167399672 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 179.31 g/mol. Edit any field — others recompute live.
