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Molecule
4-Cyclopentyl-1-Piperazinamine
CAS: 61379-64-4 · C9H19N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 61379-64-4
- Molecular Formula
- C9H19N3
- Molecular Mass
- 169.27 g/mol
Identifiers
CAS Registry Number
61379-64-4
SMILES
NN1CCN(C2CCCC2)CC1
InChI Key
QYHRIASMJNLWHJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H19N3/c10-12-7-5-11(6-8-12)9-3-1-2-4-9/h9H,1-8,10H2
Names and Synonyms
- 4-Cyclopentyl-1-Piperazinamine Systematic Name
- 1-Piperazinamine, 4-cyclopentyl- Synonym
- 4-Cyclopentyl-1-piperazinamine Synonym
- 1-Amino-4-cyclopentylpiperazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.27 g/mol | CAS Common Chemistry |
| 169.27199999999996 g/mol | RDKit | |
| 169.272 g/mol | RDKit | |
| Canonical SMILES | NN1CCN(CC1)C2CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H19N3/c10-12-7-5-11(6-8-12)9-3-1-2-4-9/h9H,1-8,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QYHRIASMJNLWHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Cyclopentyl-1-piperazinamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.5 Ų | RDKit |
| 32.04 Ų | chempirical lib | |
| LogP | 0.4202999999999999 | RDKit |
| 0.4203 | RDKit | |
| Molar Refractivity | 49.58940000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 169.15789760799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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MW = 169.27 g/mol. Edit any field — others recompute live.
