About 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine
2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine (PubChem CID 101178947) has the molecular formula C8H20N4O2
and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine.
Molecular Properties
| Compound Name | 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine |
| PubChem CID | 101178947 |
| Molecular Formula | C8H20N4O2 |
| Molecular Weight | 204.27 g/mol |
| Exact Mass | 204.16 |
| IUPAC Name | 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine |
| SMILES | COCCN(C)/N=N/N(C)CCOC |
| InChI | InChI=1S/C8H20N4O2/c1-11(5-7-13-3)9-10-12(2)6-8-14-4/h5-8H2,1-4H3/b10-9+ |
| InChIKey | CNJGTXAOKHNSOW-MDZDMXLPSA-N |
| XLogP | 0.43 |
| TPSA | 49.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 204.27 |
| LogP ≤ 5 | 0.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine 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-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine?
The IUPAC name of 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine (CID 101178947) is 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine.
What is the SMILES notation for 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine?
The canonical SMILES for 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine is COCCN(C)/N=N/N(C)CCOC.
What is the InChIKey of 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine?
The InChIKey is CNJGTXAOKHNSOW-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H20N4O2/c1-11(5-7-13-3)9-10-12(2)6-8-14-4/h5-8H2,1-4H3/b10-9+.
What are the key properties of 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine?
2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine has a molecular weight of 204.27 g/mol, XLogP of 0.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine is sourced from PubChem (CID 101178947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).