Back to Search
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 Weight:
128.219 g/mol
Names and Synonyms:
2-(2-Aminoethyl)-1-Methylpyrrolidine
2-(1-Methylpyrrolidin-2-yl)ethan-1-amine
1-Methyl-2-(2-aminoethyl)pyrrolidine
2-(1-Methylpyrrolidin-2-yl)ethylamine
2-(1-Methyl-2-pyrrolidinyl)ethanamine
NSC 118052
N-Methyl-2-(2-aminoethyl)pyrrolidine
2-(N-Methylpyrrolidin-2-yl)ethylamine
2-(1-Methyl-2-pyrrolidinyl)ethylamine
2-(2-Aminoethyl)-1-methylpyrrolidine
1-Methyl-2-pyrrolidineethanamine
2-Pyrrolidineethanamine, 1-methyl-
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 128.22 g/mol | Legacy Database |
| cas-canonical-smile | NCCC1N(C)CCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PNHGJPJOMCXSKN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-(2-Aminoethyl)-1-methylpyrrolidine None | Legacy Database |
| LogP | 0.4293999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.219 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.131348512 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.3234 | RDKit |
