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Molecule
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
Identifiers
CAS Registry Number
4415-83-2
SMILES
NCC1CCC1
InChI Key
LQNHRNOPWKZUSN-UHFFFAOYSA-N
InChI
InChI=1S/C5H11N/c6-4-5-2-1-3-5/h5H,1-4,6H2
Names and Synonyms
- Cyclobutanemethanamine Synonym
- Cyclobutanemethanamine Synonym
- Cyclobutanemethylamine Synonym
- Cyclobutylmethylamine Synonym
- (Aminomethyl)cyclobutane Synonym
- Cyclobutylmethaneamine Synonym
- Cyclobutylmethanamine Synonym
- 1-Cyclobutylmethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 85.15 g/mol | CAS Common Chemistry |
| 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 |
| 0.7452 | RDKit | |
| Molar Refractivity | 26.395399999999988 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 85.08914935199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 85.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11N.
