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Molecule
3,3-Dimethylpiperidine
CAS: 1193-12-0 · C7H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1193-12-0
- Molecular Formula
- C7H15N
- Molecular Mass
- 113.20 g/mol
Identifiers
CAS Registry Number
1193-12-0
SMILES
CC1(C)CCCNC1
InChI Key
CDODDZJCEADUQQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3
Names and Synonyms
- 3,3-Dimethylpiperidine Systematic Name
- Piperidine, 3,3-dimethyl- Synonym
- 3,3-Dimethylpiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.20 g/mol | CAS Common Chemistry |
| 113.20400000000001 g/mol | RDKit | |
| 113.204 g/mol | RDKit | |
| Boiling Point | 137 °C | CAS Common Chemistry |
| Canonical SMILES | N1CCCC(C)(C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CDODDZJCEADUQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,3-Dimethylpiperidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.396 | RDKit |
| Molar Refractivity | 35.88469999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 113.12044947999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 113.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15N.
