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Molecule
2-(Aminomethyl)-1-Ethylpyrrolidine
CAS: 26116-12-1 · C7H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 26116-12-1
- Molecular Formula
- C7H16N2
- Molecular Mass
- 128.22 g/mol
Identifiers
CAS Registry Number
26116-12-1
SMILES
CCN1CCCC1CN
InChI Key
UNRBEYYLYRXYCG-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3
Names and Synonyms
- 2-(Aminomethyl)-1-Ethylpyrrolidine Synonym
- 2-Pyrrolidinemethanamine, 1-ethyl- Synonym
- Pyrrolidine, 2-(aminomethyl)-1-ethyl- Synonym
- 1-Ethyl-2-pyrrolidinemethanamine Synonym
- 2-(Aminomethyl)-1-ethylpyrrolidine Synonym
- 1-Ethyl-2-(aminomethyl)pyrrolidine Synonym
- N-Ethyl-α-aminomethylpyrrolidine Synonym
- N-Ethyl-2-(aminomethyl)pyrrolidine Synonym
- 2-(Aminomethyl)-N-ethylpyrrolidine Synonym
- 1-Ethyl-2-pyrrolidinemethylamine Synonym
- (1-Ethyl-2-pyrrolidinyl)methylamine Synonym
- (±)-2-(Aminomethyl)-1-ethylpyrrolidine Synonym
- 1-(1-Ethylpyrrolidin-2-yl)methanamine Synonym
- (1-Ethylpyrrolidin-2-yl)methanamine Synonym
- N-[(1-Ethylpyrrolidin-2-yl)methyl]amine Synonym
- N-Ethyl-2-aminomethyltetrahydropyrrolidine 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 | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.897 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | NCC1N(CC)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UNRBEYYLYRXYCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Aminomethyl)-1-ethylpyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 0.4294000000000001 | 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 | 77-78 °C @ 10 Torr | CAS Common Chemistry |
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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20
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| 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 = 128.22 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16N2.
