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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
Names and Synonyms:
4-Cyclopentyl-1-Piperazinamine
1-Piperazinamine, 4-cyclopentyl-
4-Cyclopentyl-1-piperazinamine
1-Amino-4-cyclopentylpiperazine
Identifiers:
SMILES:
NN1CCN(C2CCCC2)CC1
InChI:
InChI=1S/C9H19N3/c10-12-7-5-11(6-8-12)9-3-1-2-4-9/h9H,1-8,10H2
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 | 169.27 g/mol | CAS Common Chemistry |
| 169.27199999999996 g/mol | RDKit | |
| 169.15789760799998 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 |
| LogP | 0.4202999999999999 | RDKit |
| Molar Refractivity | 49.58940000000004 | RDKit |
