Chemical Name - Isobutylamine
Mol Weight - 73.1383
Smiles - CC(C)CN
Mol Weight - 73.1383
Smiles - CC(C)CN
| Property Value | |
| Mol Name | Isobutylamine |
| Molweight | 73.1383 |
| Monoisotopic Mass | 73.089149 |
| Clogp | 0.3254 |
| Clogs | -0.983 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 72.8 |
| Relative Psa | 0.20975 |
| Polar Surface Area | 26.02 |
| Druglikeness | -4.0842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.7459 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC(C)CN |
| InChIKey | InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 |
| InChI | KDSNLYIMUZNERS-UHFFFAOYSA-N |
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1 - Isobutylamine
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