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1-(3-Aminopropyl)-2-Pipecoline
CAS: 25560-00-3 | C9H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25560-00-3
Molecular Formula:
C9H20N2
Molecular Mass:
156.27 g/mol
Names and Synonyms:
1-(3-Aminopropyl)-2-Pipecoline
1-Piperidinepropanamine, 2-methyl-
2-Pipecoline, 1-(3-aminopropyl)-
2-Methyl-1-piperidinepropanamine
3-(2-Methylpiperidino)propylamine
1-(3-Aminopropyl)-2-methylpiperidine
1-(3-Aminopropyl)-2-pipecoline
1-(3-Aminopropyl)-2-methylhexahydropyridine
3-(2-Methylpiperidin-1-yl)propylamine
3-(2-Methyl-1-piperidinyl)-1-propanamine
N-(3-Aminopropyl)-2-methylpiperidine
Identifiers:
SMILES:
CC1CCCCN1CCCN
InChI:
InChI=1S/C9H20N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-8,10H2,1H3
Key Properties
Boiling Point
163-170 °C @ Press: 755 Torr
CAS Common Chemistry
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 | 156.27 g/mol | CAS Common Chemistry |
| 156.273 g/mol | RDKit | |
| 156.16264864 g/mol | RDKit | |
| Boiling Point | 163-170 °C @ Press: 755 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCCN1CCCCC1C | CAS Common Chemistry |
| InChI | InChI=1S/C9H20N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-8,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YYAYTNPNFKPFNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(3-Aminopropyl)-2-pipecoline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 1.2096 | RDKit |
| Molar Refractivity | 48.55740000000002 | RDKit |
