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Molecule
2-Piperidinemethanamine
CAS: 22990-77-8 · C6H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22990-77-8
- Molecular Formula
- C6H14N2
- Molecular Mass
- 114.19 g/mol
Identifiers
CAS Registry Number
22990-77-8
SMILES
NCC1CCCCN1
InChI Key
RHPBLLCTOLJFPH-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-5,7H2
Names and Synonyms
- 2-Piperidinemethanamine Systematic Name
- 2-Piperidinemethanamine Synonym
- Piperidine, 2-(aminomethyl)- Synonym
- 2-(Aminomethyl)piperidine Synonym
- Piperidin-2-ylmethanamine Synonym
- 1-(Piperidin-2-yl)methanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.19 g/mol | CAS Common Chemistry |
| 114.19200000000001 g/mol | RDKit | |
| 114.192 g/mol | RDKit | |
| Canonical SMILES | NCC1NCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-5,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RHPBLLCTOLJFPH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Piperidinemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 0.08719999999999978 | RDKit |
| 0.0872 | RDKit | |
| Molar Refractivity | 34.696099999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.11569844799999 g/mol | RDKit |
| Boiling Point | 80-81 °C @ 18 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
80
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40
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 = 114.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2.
