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Molecule
(3-Endo)-8-(1-Methylethyl)-8-Azabicyclo[3.2.1]Octan-3-Ol
CAS: 3423-25-4 · C10H19NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3423-25-4
- Molecular Formula
- C10H19NO
- Molecular Mass
- 169.27 g/mol
Identifiers
CAS Registry Number
3423-25-4
SMILES
CC(C)N1[C@@H]2CC[C@H]1C[C@@H](O)C2
InChI Key
YYDQYSQZIUSKFN-MYJAWHEDNA-N
InChI
InChI=1/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/t8-,9+,10+
Names and Synonyms
- (3-Endo)-8-(1-Methylethyl)-8-Azabicyclo[3.2.1]Octan-3-Ol Synonym
- 8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-, (3-endo)- Synonym
- 1αH,5αH-Nortropan-3α-ol, 8-isopropyl- Synonym
- 8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-, endo- Synonym
- Nortropine, 8-isopropyl- Synonym
- (3-endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-ol Synonym
- 8-Isopropylnortropan-3α-ol Synonym
- N-Isopropylnortropine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.27 g/mol | CAS Common Chemistry |
| 169.268 g/mol | RDKit | |
| Canonical SMILES | OC1CC2N(C(C)C)C(CC2)C1 | CAS Common Chemistry |
| InChI | InChI=1/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/t8-,9+,10+ | CAS Common Chemistry |
| InChI Key | InChIKey=YYDQYSQZIUSKFN-MYJAWHEDNA-N | CAS Common Chemistry |
| Name | (3-endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-ol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 1.3825 | RDKit |
| Molar Refractivity | 49.02580000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 169.146664228 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 169.27 g/mol. Edit any field — others recompute live.
