About methane;2-methoxy-N-methylethanamine
methane;2-methoxy-N-methylethanamine (PubChem CID 159300149) has the molecular formula C5H15NO
and a molecular weight of 105.18 g/mol. Its IUPAC name is methane;2-methoxy-N-methylethanamine.
Molecular Properties
| Compound Name | methane;2-methoxy-N-methylethanamine |
| PubChem CID | 159300149 |
| Molecular Formula | C5H15NO |
| Molecular Weight | 105.18 g/mol |
| Exact Mass | 105.12 |
| IUPAC Name | methane;2-methoxy-N-methylethanamine |
| SMILES | C.CNCCOC |
| InChI | InChI=1S/C4H11NO.CH4/c1-5-3-4-6-2;/h5H,3-4H2,1-2H3;1H4 |
| InChIKey | LBFPHXSKGJYXRM-UHFFFAOYSA-N |
| XLogP | 0.49 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 7 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 105.18 |
| LogP ≤ 5 | 0.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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 methane;2-methoxy-N-methylethanamine?
The IUPAC name of methane;2-methoxy-N-methylethanamine (CID 159300149) is methane;2-methoxy-N-methylethanamine.
What is the SMILES notation for methane;2-methoxy-N-methylethanamine?
The canonical SMILES for methane;2-methoxy-N-methylethanamine is C.CNCCOC.
What is the InChIKey of methane;2-methoxy-N-methylethanamine?
The InChIKey is LBFPHXSKGJYXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.CH4/c1-5-3-4-6-2;/h5H,3-4H2,1-2H3;1H4.
What are the key properties of methane;2-methoxy-N-methylethanamine?
methane;2-methoxy-N-methylethanamine has a molecular weight of 105.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxy-N-methylethanamine is sourced from PubChem (CID 159300149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).