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Molecule
Tricyclo[3.3.1.13,7]Decane-1-Methanamine
CAS: 17768-41-1 · C11H19N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17768-41-1
- Molecular Formula
- C11H19N
- Molecular Mass
- 165.28 g/mol
Identifiers
CAS Registry Number
17768-41-1
SMILES
NCC12CC3CC(CC(C3)C1)C2
InChI Key
XSOHXMFFSKTSIT-UHFFFAOYSA-N
InChI
InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2
Names and Synonyms
- Tricyclo[3.3.1.13,7]Decane-1-Methanamine Synonym
- Tricyclo[3.3.1.13,7]decane-1-methanamine Synonym
- 1-Adamantanemethylamine Synonym
- 1-(Aminomethyl)adamantane Synonym
- 1-Adamantylmethylamine Synonym
- 1-Adamantylmethanamine Synonym
- MRZ 2/16 Synonym
- IEM 1618 Synonym
- NSC 285231 Synonym
- [(Adamantan-1-yl)methyl]amine Synonym
- 1-(1-Adamantyl)methanamine Synonym
- Adamantylmethylamine Synonym
- (Adamantan-1-yl)methanamine Synonym
- Adamantylmethyleneamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.28 g/mol | CAS Common Chemistry |
| 165.27999999999994 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.933 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | NCC12CC3CC(CC(C3)C1)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XSOHXMFFSKTSIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tricyclo[3.3.1.13,7]decane-1-methanamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.1615 | RDKit |
| Molar Refractivity | 49.65940000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 165.151749608 g/mol | RDKit |
| Boiling Point | 83-85 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
External Resources
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MW = 165.28 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H19N.
