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N-(3,5-Dimethyltricyclo[3.3.1.13,7]Dec-1-Yl)Formamide
CAS: 351329-88-9 | C13H21NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
351329-88-9
Molecular Formula:
C13H21NO
Molecular Mass:
207.32 g/mol
Names and Synonyms:
N-(3,5-Dimethyltricyclo[3.3.1.13,7]Dec-1-Yl)Formamide
Formamide, N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)-
N-(3,5-Dimethyltricyclo[3.3.1.13,7]dec-1-yl)formamide
1-Formylamino-3,5-dimethyladamantane
N-(3,5-Dimethyladamantan-1-yl)formamide
(3,5-Dimethyladamantan-1-yl)formamide
N-Formyl-3,5-dimethyladamantane-1-amine
Identifiers:
SMILES:
CC12CC3CC(C)(C1)CC(N=CO)(C3)C2
InChI:
InChI=1S/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)
Key Properties
Melting Point
69.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.32 g/mol | CAS Common Chemistry |
| 207.317 g/mol | RDKit | |
| 207.162314292 g/mol | RDKit | |
| Canonical SMILES | O=CNC12CC3CC(C)(C1)CC(C)(C3)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=NYQWYYMEIBHRSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69.5 °C | CAS Common Chemistry |
| Name | N-(3,5-Dimethyltricyclo[3.3.1.13,7]dec-1-yl)formamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 3.3217000000000017 | RDKit |
| Molar Refractivity | 61.257800000000046 | RDKit |
