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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 Weight:
85.15 g/mol
Names and Synonyms:
Cyclobutanemethanamine
Synonym
Cyclobutanemethanamine
Synonym
Cyclobutanemethylamine
Synonym
Cyclobutylmethylamine
Synonym
(Aminomethyl)cyclobutane
Synonym
Cyclobutylmethaneamine
Synonym
Cyclobutylmethanamine
Synonym
1-Cyclobutylmethanamine
Synonym
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
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 85.15 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 85.08914935199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.7452000000000001 | RDKit |
| molecular_mass | 85.15 g/mol | Legacy Database |
| cas-canonical-smile | NCC1CCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H11N/c6-4-5-2-1-3-5/h5H,1-4,6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LQNHRNOPWKZUSN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Cyclobutanemethanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.395399999999988 | RDKit |