Chemical Name - Diisobutylamine
Mol Weight - 129.246
Smiles - CC(C)CNCC(C)C
Mol Weight - 129.246
Smiles - CC(C)CNCC(C)C
| Property Value | |
| Mol Name | Diisobutylamine |
| Molweight | 129.246 |
| Monoisotopic Mass | 129.151749 |
| Clogp | 1.7559 |
| Clogs | -1.629 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 126.52 |
| Relative Psa | 0.090579 |
| Polar Surface Area | 12.03 |
| Druglikeness | -1.6523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.72942 |
| Molecular Complexity | 0.34657 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 9 |
| Symmetric Atoms | 5 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC(C)CNCC(C)C |
| InChIKey | InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3 |
| InChI | NJBCRXCAPCODGX-UHFFFAOYSA-N |
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