About azane;N-methylmethanamine oxide
azane;N-methylmethanamine oxide (PubChem CID 174902033) has the molecular formula C2H10N2O
and a molecular weight of 78.11 g/mol. Its IUPAC name is azane;N-methylmethanamine oxide.
Molecular Properties
| Compound Name | azane;N-methylmethanamine oxide |
|---|
| PubChem CID | 174902033 |
|---|
| Molecular Formula | C2H10N2O |
|---|
| Molecular Weight | 78.11 g/mol |
|---|
| Exact Mass | 78.08 |
|---|
| IUPAC Name | azane;N-methylmethanamine oxide |
|---|
| SMILES | C[NH+](C)[O-].N |
|---|
| InChI | InChI=1S/C2H7NO.H3N/c1-3(2)4;/h3H,1-2H3;1H3 |
|---|
| InChIKey | CDNAJMFOGXNVPG-UHFFFAOYSA-N |
|---|
| XLogP | -1.21 |
|---|
| TPSA | 62.50 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 5 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 78.11 |
| LogP ≤ 5 | -1.21 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze azane;N-methylmethanamine oxide 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 azane;N-methylmethanamine oxide?
The IUPAC name of azane;N-methylmethanamine oxide (CID 174902033) is azane;N-methylmethanamine oxide.
What is the SMILES notation for azane;N-methylmethanamine oxide?
The canonical SMILES for azane;N-methylmethanamine oxide is C[NH+](C)[O-].N.
What is the InChIKey of azane;N-methylmethanamine oxide?
The InChIKey is CDNAJMFOGXNVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.H3N/c1-3(2)4;/h3H,1-2H3;1H3.
What are the key properties of azane;N-methylmethanamine oxide?
azane;N-methylmethanamine oxide has a molecular weight of 78.11 g/mol, XLogP of -1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-methylmethanamine oxide is sourced from PubChem (CID 174902033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).