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Molecule
2-(2-Aminoethyl)-1-Methylpyrrolidine
CAS: 51387-90-7 · C7H16N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51387-90-7
- Molecular Formula
- C7H16N2
- Molecular Mass
- 128.22 g/mol
Identifiers
CAS Registry Number
51387-90-7
SMILES
CN1CCCC1CCN
InChI Key
PNHGJPJOMCXSKN-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3
Names and Synonyms
- 2-(2-Aminoethyl)-1-Methylpyrrolidine Systematic Name
- 2-Pyrrolidineethanamine, 1-methyl- Synonym
- 1-Methyl-2-pyrrolidineethanamine Synonym
- 2-(2-Aminoethyl)-1-methylpyrrolidine Synonym
- 2-(1-Methyl-2-pyrrolidinyl)ethylamine Synonym
- 2-(N-Methylpyrrolidin-2-yl)ethylamine Synonym
- N-Methyl-2-(2-aminoethyl)pyrrolidine Synonym
- NSC 118052 Synonym
- 2-(1-Methyl-2-pyrrolidinyl)ethanamine Synonym
- 2-(1-Methylpyrrolidin-2-yl)ethylamine Synonym
- 1-Methyl-2-(2-aminoethyl)pyrrolidine Synonym
- 2-(1-Methylpyrrolidin-2-yl)ethan-1-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 | NCCC1N(C)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PNHGJPJOMCXSKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Aminoethyl)-1-methylpyrrolidine | 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 | 0.4293999999999999 | 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 |
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.
