About 2-ethyl-4-methylimidazol-1-amine
2-ethyl-4-methylimidazol-1-amine (PubChem CID 154091770) has the molecular formula C6H11N3
and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-ethyl-4-methylimidazol-1-amine.
Molecular Properties
| Compound Name | 2-ethyl-4-methylimidazol-1-amine |
| PubChem CID | 154091770 |
| Molecular Formula | C6H11N3 |
| Molecular Weight | 125.17 g/mol |
| Exact Mass | 125.10 |
| IUPAC Name | 2-ethyl-4-methylimidazol-1-amine |
| SMILES | CCc1nc(C)cn1N |
| InChI | InChI=1S/C6H11N3/c1-3-6-8-5(2)4-9(6)7/h4H,3,7H2,1-2H3 |
| InChIKey | RVKJUVIBSRBNAN-UHFFFAOYSA-N |
| XLogP | 0.47 |
| TPSA | 43.84 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 9 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 125.17 |
| LogP ≤ 5 | 0.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethyl-4-methylimidazol-1-amine?
The IUPAC name of 2-ethyl-4-methylimidazol-1-amine (CID 154091770) is 2-ethyl-4-methylimidazol-1-amine.
What is the SMILES notation for 2-ethyl-4-methylimidazol-1-amine?
The canonical SMILES for 2-ethyl-4-methylimidazol-1-amine is CCc1nc(C)cn1N.
What is the InChIKey of 2-ethyl-4-methylimidazol-1-amine?
The InChIKey is RVKJUVIBSRBNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-6-8-5(2)4-9(6)7/h4H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-4-methylimidazol-1-amine?
2-ethyl-4-methylimidazol-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylimidazol-1-amine is sourced from PubChem (CID 154091770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).