Chemical Name - Di-Methylbutylamine
Mol Weight - 101.192
Smiles - CCCCN(C)C
Mol Weight - 101.192
Smiles - CCCCN(C)C
| Property Value | |
| Mol Name | Di-Methylbutylamine |
| Molweight | 101.192 |
| Monoisotopic Mass | 101.120449 |
| Clogp | 1.1795 |
| Clogs | -0.647 |
| H Acceptors | 1 |
| Total Surface Area | 101.86 |
| Relative Psa | 0.034852 |
| Polar Surface Area | 3.24 |
| Druglikeness | 0.95242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.85714 |
| Molecular Flexibility | 0.67663 |
| Molecular Complexity | 0.4621 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CCCCN(C)C |
| InChIKey | InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3 |
| InChI | DJEQZVQFEPKLOY-UHFFFAOYSA-N |
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1 - Di-Methylbutylamine
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1 - Di-Methylbutylamine
2 - Di-Methylbutylamine
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