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Molecule
1-(1-Methylethyl)-4-Piperidinamine
CAS: 127285-08-9 · C8H18N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 127285-08-9
- Molecular Formula
- C8H18N2
- Molecular Mass
- 142.25 g/mol
Identifiers
CAS Registry Number
127285-08-9
SMILES
CC(C)N1CCC(N)CC1
InChI Key
ZRQQXFMGYSOKDF-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3
Names and Synonyms
- 1-(1-Methylethyl)-4-Piperidinamine Synonym
- 4-Piperidinamine, 1-(1-methylethyl)- Synonym
- 1-(1-Methylethyl)-4-piperidinamine Synonym
- 4-Amino-1-(1-methylethyl)piperidine Synonym
- 1-Isopropyl-4-aminopiperidine Synonym
- (1-Isopropylpiperidin-4-yl)amine Synonym
- 1-Isopropylpiperidin-4-amine Synonym
- 4-Amino-1-isopropylpiperidine Synonym
- N-Isopropyl-4-aminopiperidine Synonym
- 1-(Propan-2-yl)piperidin-4-amine Synonym
- 1-Propan-2-ylpiperidin-4-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.25 g/mol | CAS Common Chemistry |
| 142.24599999999998 g/mol | RDKit | |
| 142.246 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 |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.8179 | RDKit |
| Molar Refractivity | 43.91840000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 142.146998576 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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140
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20
0 ppm
| 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 = 142.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18N2.
