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Molecule
(2S)-1-Ethyl-2-Pyrrolidinemethanamine
CAS: 22795-99-9 · C7H16N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22795-99-9
- Molecular Formula
- C7H16N2
- Molecular Mass
- 128.22 g/mol
Identifiers
CAS Registry Number
22795-99-9
SMILES
CCN1CCC[C@H]1CN
InChI Key
UNRBEYYLYRXYCG-ZETCQYMHSA-N
InChI
InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/t7-/m0/s1
Names and Synonyms
- (2S)-1-Ethyl-2-Pyrrolidinemethanamine Common Name
- 2-Pyrrolidinemethanamine, 1-ethyl-, (2S)- Synonym
- Pyrrolidine, 2-(aminomethyl)-1-ethyl-, (-)- Synonym
- 2-Pyrrolidinemethanamine, 1-ethyl-, (S)- Synonym
- (2S)-1-Ethyl-2-pyrrolidinemethanamine Synonym
- (-)-1-Ethyl-2-(aminomethyl)pyrrolidine Synonym
- (S)-(-)-1-Ethyl-2-pyrrolidinemethanamine Synonym
- (-)-2-(Aminomethyl)-1-ethylpyrrolidine Synonym
- (S)-2-(Aminomethyl)-1-ethylpyrrolidine Synonym
- (S)-(-)-2-(Aminomethyl)-1-ethylpyrrolidine Synonym
- S-(-)-2-(Aminomethyl)-N-ethylpyrrolidine Synonym
- (-)-(S)-2-(Aminomethyl)-1-ethylpyrrolidine Synonym
- [[(2S)-1-Ethylpyrrolidin-2-yl]methyl]amine Synonym
- (S)-(1-Ethylpyrrolidin-2-yl)methanamine Synonym
- [((S)-1-Ethylpyrrolidin-2-yl)methyl]amine Synonym
- [(2S)-1-Ethylpyrrolidin-2-yl]methanamine Synonym
- 2-Pyrrolidinemethanamine 1-ethyl-, (2S)- 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 | 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/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UNRBEYYLYRXYCG-ZETCQYMHSA-N | CAS Common Chemistry |
| Name | (2S)-1-Ethyl-2-pyrrolidinemethanamine | 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 |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16N2.
