Back to Search
Molecule
N-Amino-3-Azabicyclo[3.3.0]Octane
CAS: 54528-00-6 · C7H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 54528-00-6
- Molecular Formula
- C7H14N2
- Molecular Mass
- 126.20 g/mol
Identifiers
CAS Registry Number
54528-00-6
SMILES
NN1CC2CCCC2C1
InChI Key
FJYWNYLUZBMVKI-UHFFFAOYSA-N
InChI
InChI=1S/C7H14N2/c8-9-4-6-2-1-3-7(6)5-9/h6-7H,1-5,8H2
Names and Synonyms
- N-Amino-3-Azabicyclo[3.3.0]Octane Common Name
- Cyclopenta[c]pyrrol-2(1H)-amine, hexahydro- Synonym
- Hexahydrocyclopenta[c]pyrrol-2(1H)-amine Synonym
- 3-Amino-3-azabicyclo[3.3.0]octane Synonym
- N-Amino-3-azabicyclo[3.3.0]octane Synonym
- NAZA Synonym
- 3,3a,4,5,6,6a-Hexahydro-1H-cyclopenta[c]pyrrol-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.20 g/mol | CAS Common Chemistry |
| 126.203 g/mol | RDKit | |
| Canonical SMILES | NN1CC2CCCC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N2/c8-9-4-6-2-1-3-7(6)5-9/h6-7H,1-5,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FJYWNYLUZBMVKI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Amino-3-azabicyclo[3.3.0]octane | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.5919999999999996 | RDKit |
| 0.592 | RDKit | |
| Molar Refractivity | 36.5914 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 126.11569844799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 126.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14N2.
