About 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine
1-cyclohexyl-2-(2-methoxyethoxy)ethanamine (PubChem CID 104748661) has the molecular formula C11H23NO2
and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine.
Molecular Properties
| Compound Name | 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine |
| PubChem CID | 104748661 |
| Molecular Formula | C11H23NO2 |
| Molecular Weight | 201.31 g/mol |
| Exact Mass | 201.17 |
| IUPAC Name | 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine |
| SMILES | COCCOCC(N)C1CCCCC1 |
| InChI | InChI=1S/C11H23NO2/c1-13-7-8-14-9-11(12)10-5-3-2-4-6-10/h10-11H,2-9,12H2,1H3 |
| InChIKey | DICXWEHZWVSOHT-UHFFFAOYSA-N |
| XLogP | 1.56 |
| TPSA | 44.48 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 201.31 |
| LogP ≤ 5 | 1.56 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine (CID 104748661) is 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine is COCCOCC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine?
The InChIKey is DICXWEHZWVSOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-13-7-8-14-9-11(12)10-5-3-2-4-6-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine?
1-cyclohexyl-2-(2-methoxyethoxy)ethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 104748661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).