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Molecule
1-(3-Aminopropyl)-2-Pipecoline
CAS: 25560-00-3 · C9H20N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25560-00-3
- Molecular Formula
- C9H20N2
- Molecular Mass
- 156.27 g/mol
Identifiers
CAS Registry Number
25560-00-3
SMILES
CC1CCCCN1CCCN
InChI Key
YYAYTNPNFKPFNG-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-8,10H2,1H3
Names and Synonyms
- 1-(3-Aminopropyl)-2-Pipecoline Synonym
- 1-Piperidinepropanamine, 2-methyl- Synonym
- 2-Pipecoline, 1-(3-aminopropyl)- Synonym
- 2-Methyl-1-piperidinepropanamine Synonym
- 3-(2-Methylpiperidino)propylamine Synonym
- 1-(3-Aminopropyl)-2-methylpiperidine Synonym
- 1-(3-Aminopropyl)-2-pipecoline Synonym
- 1-(3-Aminopropyl)-2-methylhexahydropyridine Synonym
- 3-(2-Methylpiperidin-1-yl)propylamine Synonym
- 3-(2-Methyl-1-piperidinyl)-1-propanamine Synonym
- N-(3-Aminopropyl)-2-methylpiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.27 g/mol | CAS Common Chemistry |
| 156.273 g/mol | RDKit | |
| 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 |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 1.2096 | RDKit |
| Molar Refractivity | 48.55740000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.16264864 g/mol | RDKit |
| Boiling Point | 163-170 °C @ 755 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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20
0 ppm
| 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 = 156.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H20N2.
