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Molecule
1-Ethyl-4-Piperidinamine
CAS: 50534-45-7 · C7H16N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 50534-45-7
- Molecular Formula
- C7H16N2
- Molecular Mass
- 128.22 g/mol
Identifiers
CAS Registry Number
50534-45-7
SMILES
CCN1CCC(N)CC1
InChI Key
UFETTXCVHFVMPU-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2/c1-2-9-5-3-7(8)4-6-9/h7H,2-6,8H2,1H3
Names and Synonyms
- 1-Ethyl-4-Piperidinamine Synonym
- 4-Piperidinamine, 1-ethyl- Synonym
- 1-Ethyl-4-piperidinamine Synonym
- 4-Amino-1-ethylpiperidine Synonym
- (1-Ethylpiperidin-4-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.22 g/mol | CAS Common Chemistry |
| 128.219 g/mol | RDKit | |
| Canonical SMILES | NC1CCN(CC)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2/c1-2-9-5-3-7(8)4-6-9/h7H,2-6,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UFETTXCVHFVMPU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Ethyl-4-piperidinamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 0.4293999999999999 | RDKit |
| 0.4294 | RDKit | |
| Molar Refractivity | 39.3234 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 128.131348512 g/mol | RDKit |
| Boiling Point | 73 °C @ 16 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 128.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16N2.
