About N'-hydroxy-2-(4-methylanilino)ethanimidamide
N'-hydroxy-2-(4-methylanilino)ethanimidamide (PubChem CID 20542821) has the molecular formula C9H13N3O
and a molecular weight of 179.22 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylanilino)ethanimidamide.
Molecular Properties
| Compound Name | N'-hydroxy-2-(4-methylanilino)ethanimidamide |
|---|
| PubChem CID | 20542821 |
|---|
| Molecular Formula | C9H13N3O |
|---|
| Molecular Weight | 179.22 g/mol |
|---|
| Exact Mass | 179.11 |
|---|
| IUPAC Name | N'-hydroxy-2-(4-methylanilino)ethanimidamide |
|---|
| SMILES | Cc1ccc(NC/C(N)=N/O)cc1 |
|---|
| InChI | InChI=1S/C9H13N3O/c1-7-2-4-8(5-3-7)11-6-9(10)12-13/h2-5,11,13H,6H2,1H3,(H2,10,12) |
|---|
| InChIKey | QJZCFCUXTLSKKG-UHFFFAOYSA-N |
|---|
| XLogP | 1.15 |
|---|
| TPSA | 70.64 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 13 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 179.22 |
| LogP ≤ 5 | 1.15 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N'-hydroxy-2-(4-methylanilino)ethanimidamide 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 N'-hydroxy-2-(4-methylanilino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methylanilino)ethanimidamide (CID 20542821) is N'-hydroxy-2-(4-methylanilino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylanilino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylanilino)ethanimidamide is Cc1ccc(NC/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-2-(4-methylanilino)ethanimidamide?
The InChIKey is QJZCFCUXTLSKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-2-4-8(5-3-7)11-6-9(10)12-13/h2-5,11,13H,6H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-(4-methylanilino)ethanimidamide?
N'-hydroxy-2-(4-methylanilino)ethanimidamide has a molecular weight of 179.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylanilino)ethanimidamide is sourced from PubChem (CID 20542821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).