About 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine (PubChem CID 104560039) has the molecular formula C11H18N2O3
and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine.
Molecular Properties
| Compound Name | 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine |
| PubChem CID | 104560039 |
| Molecular Formula | C11H18N2O3 |
| Molecular Weight | 226.28 g/mol |
| Exact Mass | 226.13 |
| IUPAC Name | 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine |
| SMILES | COCCOCCOc1nc(C)ccc1N |
| InChI | InChI=1S/C11H18N2O3/c1-9-3-4-10(12)11(13-9)16-8-7-15-6-5-14-2/h3-4H,5-8,12H2,1-2H3 |
| InChIKey | SKMGOCNOQUOLMC-UHFFFAOYSA-N |
| XLogP | 1.01 |
| TPSA | 66.60 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.28 |
| LogP ≤ 5 | 1.01 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine (CID 104560039) is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine is COCCOCCOc1nc(C)ccc1N.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine?
The InChIKey is SKMGOCNOQUOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9-3-4-10(12)11(13-9)16-8-7-15-6-5-14-2/h3-4H,5-8,12H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine?
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine has a molecular weight of 226.28 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridin-3-amine is sourced from PubChem (CID 104560039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).