Back to Search
Molecule
1,1-Dimethylethyl N-(4-Aminocyclohexyl)Carbamate
CAS: 195314-59-1 · C11H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 195314-59-1
- Molecular Formula
- C11H22N2O2
- Molecular Mass
- 214.31 g/mol
Identifiers
CAS Registry Number
195314-59-1
SMILES
CC(C)(C)OC(O)=NC1CCC(N)CC1
InChI Key
FEYLUKDSKVSMSZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
Names and Synonyms
- 1,1-Dimethylethyl N-(4-Aminocyclohexyl)Carbamate Systematic Name
- Carbamic acid, (4-aminocyclohexyl)-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, N-(4-aminocyclohexyl)-, 1,1-dimethylethyl ester Synonym
- 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate Synonym
- tert-Butyl 4-aminocyclohexylcarbamate Synonym
- (4-Aminocyclohexyl)carbamic acid tert-butyl ester Synonym
- tert-Butyl N-(4-aminocyclohexyl)carbamate Synonym
- N-tert-Butoxycarbonylcis-1,4-cyclohexanediamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.31 g/mol | CAS Common Chemistry |
| 214.30899999999994 g/mol | RDKit | |
| 214.309 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC1CCC(N)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=FEYLUKDSKVSMSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 1.9854 | RDKit |
| Molar Refractivity | 61.13320000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 214.168127944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 214.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H22N2O2.
1,1-Dimethylethyl N-(4-Methyl-4-Piperidinyl)Carbamate
CAS 163271-08-7
1,1-Dimethylethyl (2R)-2-Ethyl-1-Piperazinecarboxylate
CAS 393781-70-9
Carbamic acid, N-(hexahydro-1H-azepin-4-yl)-, 1,1-dimethylethyl ester
CAS 454451-28-6
Carbamic acid, N-[(2S)-2-piperidinylmethyl]-, 1,1-dimethylethyl ester
CAS 139004-93-6
Carbamic acid, N-[(2R)-2-piperidinylmethyl]-, 1,1-dimethylethyl ester
CAS 139004-96-9
1-Piperidinecarboxylic Acid, 3-(Aminomethyl)-, 1,1-Dimethylethyl Ester, (3S)-
CAS 140645-24-5
