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Molecule
1-Acetamido-3,5-Dimethyladamantane
CAS: 19982-07-1 · C14H23NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19982-07-1
- Molecular Formula
- C14H23NO
- Molecular Mass
- 221.34 g/mol
Identifiers
CAS Registry Number
19982-07-1
SMILES
CC(O)=NC12CC3CC(C)(CC(C)(C3)C1)C2
InChI Key
WVIRSYCDAYUOMJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)
Names and Synonyms
- 1-Acetamido-3,5-Dimethyladamantane Systematic Name
- Acetamide, N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)- Synonym
- Acetamide, N-(3,5-dimethyl-1-adamantyl)- Synonym
- N-(3,5-Dimethyltricyclo[3.3.1.13,7]dec-1-yl)acetamide Synonym
- 1-Acetamido-3,5-dimethyladamantane Synonym
- 1-Acetylamino-3,5-dimethyladamantane Synonym
- N-Acetylmemantine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.34 g/mol | CAS Common Chemistry |
| 221.34399999999994 g/mol | RDKit | |
| 221.344 g/mol | RDKit | |
| Canonical SMILES | O=C(NC12CC3CC(C)(C1)CC(C)(C3)C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=WVIRSYCDAYUOMJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80-82 °C (sublm) | CAS Common Chemistry |
| Name | 1-Acetamido-3,5-dimethyladamantane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.711800000000003 | RDKit |
| 3.7118 | RDKit | |
| 4.02 | chempirical lib | |
| Molar Refractivity | 65.87480000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9286 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 221.177964356 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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.
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MW = 221.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H23NO.
