About 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine (PubChem CID 43688384) has the molecular formula C16H28N2O2
and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine.
Molecular Properties
| Compound Name | 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine |
| PubChem CID | 43688384 |
| Molecular Formula | C16H28N2O2 |
| Molecular Weight | 280.41 g/mol |
| Exact Mass | 280.22 |
| IUPAC Name | 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine |
| SMILES | CCCCCCC(C)Nc1ccc(OCCOC)nc1 |
| InChI | InChI=1S/C16H28N2O2/c1-4-5-6-7-8-14(2)18-15-9-10-16(17-13-15)20-12-11-19-3/h9-10,13-14,18H,4-8,11-12H2,1-3H3 |
| InChIKey | UZCYMRCSVFSGFT-UHFFFAOYSA-N |
| XLogP | 3.88 |
| TPSA | 43.38 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 280.41 |
| LogP ≤ 5 | 3.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine (CID 43688384) is 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine is CCCCCCC(C)Nc1ccc(OCCOC)nc1.
What is the InChIKey of 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine?
The InChIKey is UZCYMRCSVFSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-5-6-7-8-14(2)18-15-9-10-16(17-13-15)20-12-11-19-3/h9-10,13-14,18H,4-8,11-12H2,1-3H3.
What are the key properties of 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine?
6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine has a molecular weight of 280.41 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine is sourced from PubChem (CID 43688384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).