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N-Methyl-N-Octyl-1-Decanamine
CAS: 22020-14-0 | C19H41N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22020-14-0
Molecular Formula:
C19H41N
Molecular Mass:
283.54 g/mol
Names and Synonyms:
N-Methyl-N-Octyl-1-Decanamine
1-Decanamine, N-methyl-N-octyl-
Decylamine, N-methyl-N-octyl-
N-Methyl-N-octyl-1-decanamine
Decylmethyloctylamine
N-Octyl-N-methyl-1-decanamine
Identifiers:
SMILES:
CCCCCCCCCCN(C)CCCCCCCC
InChI:
InChI=1S/C19H41N/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h4-19H2,1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 283.54 g/mol | CAS Common Chemistry |
| 283.544 g/mol | RDKit | |
| 283.323900312 g/mol | RDKit | |
| Canonical SMILES | N(C)(CCCCCCCC)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H41N/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h4-19H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CQFRPHDWUIZNOK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-N-octyl-1-decanamine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 6.4194000000000075 | RDKit |
| Molar Refractivity | 93.48300000000009 | RDKit |
