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Molecule
1-Piperidinepropanamine
CAS: 3529-08-6 · C8H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3529-08-6
- Molecular Formula
- C8H18N2
- Molecular Mass
- 142.25 g/mol
Identifiers
CAS Registry Number
3529-08-6
SMILES
NCCCN1CCCCC1
InChI Key
JMUCXULQKPWSTJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2
Names and Synonyms
- 1-Piperidinepropanamine Synonym
- 1-Piperidinepropanamine Synonym
- Piperidine, 1-(3-aminopropyl)- Synonym
- N-(ω-Aminopropyl)piperidine Synonym
- 1-(3-Aminopropyl)piperidine Synonym
- 3-Piperidinopropylamine Synonym
- 3-(N-Piperidino)propylamine Synonym
- N-(3-Aminopropyl)piperidine Synonym
- 3-(1-Piperidinyl)propylamine Synonym
- 3-Piperidino-1-propylamine Synonym
- n-(γ-Aminopropyl)piperidine Synonym
- 3-Piperidinopropan-1-amine Synonym
- 3-(Piperidin-1-yl)propan-1-amine Synonym
- 3-(Piperidin-1-yl)propane-1-amine Synonym
- [3-(Piperidin-1-yl)propyl]amine-3-(piperidin-1-yl)propan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.25 g/mol | CAS Common Chemistry |
| 142.24599999999998 g/mol | RDKit | |
| 142.246 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9024 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | NCCCN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JMUCXULQKPWSTJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Piperidinepropanamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 0.8210999999999999 | RDKit |
| 0.8211 | RDKit | |
| Molar Refractivity | 43.962400000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 142.146998576 g/mol | RDKit |
| Boiling Point | 81-83 °C @ 9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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Quick conversion
MW = 142.25 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18N2.
