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2-(2-Aminoethyl)-1-Methylpyrrolidine
CAS: 51387-90-7 | C7H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51387-90-7
Molecular Formula:
C7H16N2
Molecular Mass:
128.22 g/mol
Names and Synonyms:
2-(2-Aminoethyl)-1-Methylpyrrolidine
2-Pyrrolidineethanamine, 1-methyl-
1-Methyl-2-pyrrolidineethanamine
2-(2-Aminoethyl)-1-methylpyrrolidine
2-(1-Methyl-2-pyrrolidinyl)ethylamine
2-(N-Methylpyrrolidin-2-yl)ethylamine
N-Methyl-2-(2-aminoethyl)pyrrolidine
NSC 118052
2-(1-Methyl-2-pyrrolidinyl)ethanamine
2-(1-Methylpyrrolidin-2-yl)ethylamine
1-Methyl-2-(2-aminoethyl)pyrrolidine
2-(1-Methylpyrrolidin-2-yl)ethan-1-amine
Identifiers:
SMILES:
CN1CCCC1CCN
InChI:
InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.22 g/mol | CAS Common Chemistry |
| 128.219 g/mol | RDKit | |
| 128.131348512 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 |
| LogP | 0.4293999999999999 | RDKit |
| Molar Refractivity | 39.3234 | RDKit |
