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Cyclobutanemethanamine
CAS: 4415-83-2 | C5H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4415-83-2
Molecular Formula:
C5H11N
Molecular Mass:
85.15 g/mol
Names and Synonyms:
Cyclobutanemethanamine
Cyclobutanemethanamine
Cyclobutanemethylamine
Cyclobutylmethylamine
(Aminomethyl)cyclobutane
Cyclobutylmethaneamine
Cyclobutylmethanamine
1-Cyclobutylmethanamine
Identifiers:
SMILES:
NCC1CCC1
InChI:
InChI=1S/C5H11N/c6-4-5-2-1-3-5/h5H,1-4,6H2
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 |
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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 | 85.15 g/mol | CAS Common Chemistry |
| 85.08914935199999 g/mol | RDKit | |
| Canonical SMILES | NCC1CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11N/c6-4-5-2-1-3-5/h5H,1-4,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LQNHRNOPWKZUSN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclobutanemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.7452000000000001 | RDKit |
| Molar Refractivity | 26.395399999999988 | RDKit |
