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1-Acetamido-3,5-Dimethyladamantane
CAS: 19982-07-1 | C14H23NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19982-07-1
Molecular Formula:
C14H23NO
Molecular Mass:
221.34 g/mol
Names and Synonyms:
1-Acetamido-3,5-Dimethyladamantane
Acetamide, N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)-
Acetamide, N-(3,5-dimethyl-1-adamantyl)-
N-(3,5-Dimethyltricyclo[3.3.1.13,7]dec-1-yl)acetamide
1-Acetamido-3,5-dimethyladamantane
1-Acetylamino-3,5-dimethyladamantane
N-Acetylmemantine
Identifiers:
SMILES:
CC(O)=NC12CC3CC(C)(CC(C)(C3)C1)C2
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)
Key Properties
Melting Point
80-82 °C (sublm)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.34 g/mol | CAS Common Chemistry |
| 221.34399999999994 g/mol | RDKit | |
| 221.177964356 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 |
| Molar Refractivity | 65.87480000000005 | RDKit |
