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Molecule
(3S)-N-Ethyl-3-Pyrrolidinamine
CAS: 381670-31-1 · C6H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 381670-31-1
- Molecular Formula
- C6H14N2
- Molecular Mass
- 114.19 g/mol
Identifiers
CAS Registry Number
381670-31-1
SMILES
CCN[C@H]1CCNC1
InChI Key
OPCPWFHLFKAUEA-LURJTMIESA-N
InChI
InChI=1S/C6H14N2/c1-2-8-6-3-4-7-5-6/h6-8H,2-5H2,1H3/t6-/m0/s1
Names and Synonyms
- (3S)-N-Ethyl-3-Pyrrolidinamine Synonym
- 3-Pyrrolidinamine, N-ethyl-, (3S)- Synonym
- (3S)-N-Ethyl-3-pyrrolidinamine Synonym
- (3S)-3-(Ethylamino)pyrrolidine Synonym
- (3S)-(-)-3-(Ethylamino)pyrrolidine Synonym
- (3S)-N-Ethylpyrrolidin-3-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.19 g/mol | CAS Common Chemistry |
| 114.19200000000001 g/mol | RDKit | |
| 114.192 g/mol | RDKit | |
| Canonical SMILES | N1CCC(NCC)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c1-2-8-6-3-4-7-5-6/h6-8H,2-5H2,1H3/t6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OPCPWFHLFKAUEA-LURJTMIESA-N | CAS Common Chemistry |
| Name | (3S)-N-Ethyl-3-pyrrolidinamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | -0.04219999999999996 | RDKit |
| -0.0422 | RDKit | |
| Molar Refractivity | 34.95139999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.11569844799999 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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| 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 = 114.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2.
