Chemical Name - 2-Ethylhexylamine
Mol Weight - 129.246
Smiles - CCCCC(CC)CN
Mol Weight - 129.246
Smiles - CCCCC(CC)CN
| Property Value | |
| Mol Name | 2-Ethylhexylamine |
| Molweight | 129.246 |
| Monoisotopic Mass | 129.151749 |
| Clogp | 2.143 |
| Clogs | -2.063 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 127.84 |
| Relative Psa | 0.11945 |
| Polar Surface Area | 26.02 |
| Druglikeness | -6.299 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.7313 |
| Molecular Complexity | 0.48648 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Stereo Centers | 1 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 9 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CCCCC(CC)CN |
| InChIKey | InChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3 |
| InChI | LTHNHFOGQMKPOV-UHFFFAOYSA-N |
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1 - 2-Ethylhexylamine
2 - 2-Ethylhexylamine
1 - 2-Ethylhexylamine
2 - 2-Ethylhexylamine
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