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1-(1-Methylethyl)-4-Piperidinamine
CAS: 127285-08-9 | C8H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
127285-08-9
Molecular Formula:
C8H18N2
Molecular Mass:
142.25 g/mol
Names and Synonyms:
1-(1-Methylethyl)-4-Piperidinamine
4-Piperidinamine, 1-(1-methylethyl)-
1-(1-Methylethyl)-4-piperidinamine
4-Amino-1-(1-methylethyl)piperidine
1-Isopropyl-4-aminopiperidine
(1-Isopropylpiperidin-4-yl)amine
1-Isopropylpiperidin-4-amine
4-Amino-1-isopropylpiperidine
N-Isopropyl-4-aminopiperidine
1-(Propan-2-yl)piperidin-4-amine
1-Propan-2-ylpiperidin-4-amine
Identifiers:
SMILES:
CC(C)N1CCC(N)CC1
InChI:
InChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3
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 | 142.25 g/mol | CAS Common Chemistry |
| 142.24599999999998 g/mol | RDKit | |
| 142.146998576 g/mol | RDKit | |
| Canonical SMILES | NC1CCN(CC1)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZRQQXFMGYSOKDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1-Methylethyl)-4-piperidinamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 0.8179 | RDKit |
| Molar Refractivity | 43.91840000000001 | RDKit |
