Chemical Name - Mono-n-Butylamine
Mol Weight - 73.1383
Smiles - CCCCN
Mol Weight - 73.1383
Smiles - CCCCN
| Property Value | |
| Mol Name | Mono-n-Butylamine |
| Molweight | 73.1383 |
| Monoisotopic Mass | 73.089149 |
| Clogp | 0.5615 |
| Clogs | -1.093 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 75.56 |
| Relative Psa | 0.20209 |
| Polar Surface Area | 26.02 |
| Druglikeness | -4.5008 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.57469 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 5 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CCCCN |
| InChIKey | InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 |
| InChI | HQABUPZFAYXKJW-UHFFFAOYSA-N |
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