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Molecule
2-(1-Methylpiperidin-4-Yl)Ethanamine
CAS: 20845-38-9 · C8H18N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20845-38-9
- Molecular Formula
- C8H18N2
- Molecular Mass
- 142.25 g/mol
Identifiers
CAS Registry Number
20845-38-9
SMILES
CN1CCC(CCN)CC1
InChI Key
IKJXAMMGTSTBLQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2/c1-10-6-3-8(2-5-9)4-7-10/h8H,2-7,9H2,1H3
Names and Synonyms
- 2-(1-Methylpiperidin-4-Yl)Ethanamine Synonym
- 4-Piperidineethanamine, 1-methyl- Synonym
- Piperidine, 4-(2-aminoethyl)-1-methyl- Synonym
- 1-Methyl-4-piperidineethanamine Synonym
- 4-(Aminoethyl)-1-methylpiperidine Synonym
- 4-(2-Aminoethyl)-1-methylpiperidine Synonym
- 2-(1-Methylpiperidin-4-yl)ethanamine Synonym
- 2-(1-Methyl-4-piperidyl)ethanamine Synonym
- 2-(1-Methylpiperidin-4-yl)ethylamine Synonym
- 2-(1-Methylpiperidin-4-yl)ethan-1-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 | NCCC1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2/c1-10-6-3-8(2-5-9)4-7-10/h8H,2-7,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IKJXAMMGTSTBLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(1-Methylpiperidin-4-yl)ethanamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.6770000000000002 | RDKit |
| 0.677 | RDKit | |
| Molar Refractivity | 43.89240000000001 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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1
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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.
