About 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine
4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine (PubChem CID 163946304) has the molecular formula C17H35NO2
and a molecular weight of 285.47 g/mol. Its IUPAC name is 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine.
Molecular Properties
| Compound Name | 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine |
| PubChem CID | 163946304 |
| Molecular Formula | C17H35NO2 |
| Molecular Weight | 285.47 g/mol |
| Exact Mass | 285.27 |
| IUPAC Name | 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine |
| SMILES | COC[C@H](CCCCCN1CCOCC1)CCC(C)C |
| InChI | InChI=1S/C17H35NO2/c1-16(2)8-9-17(15-19-3)7-5-4-6-10-18-11-13-20-14-12-18/h16-17H,4-15H2,1-3H3/t17-/m1/s1 |
| InChIKey | RVJUAYFKWANIRT-QGZVFWFLSA-N |
| XLogP | 3.58 |
| TPSA | 21.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 285.47 |
| LogP ≤ 5 | 3.58 |
| H-Bond Donors ≤ 5 | 0 |
| 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 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine?
The IUPAC name of 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine (CID 163946304) is 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine.
What is the SMILES notation for 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine?
The canonical SMILES for 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine is COC[C@H](CCCCCN1CCOCC1)CCC(C)C.
What is the InChIKey of 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine?
The InChIKey is RVJUAYFKWANIRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H35NO2/c1-16(2)8-9-17(15-19-3)7-5-4-6-10-18-11-13-20-14-12-18/h16-17H,4-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine?
4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine has a molecular weight of 285.47 g/mol, XLogP of 3.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine is sourced from PubChem (CID 163946304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).