About N-[fluoro(methyl)amino]-N'-methylmethanimidamide
N-[fluoro(methyl)amino]-N'-methylmethanimidamide (PubChem CID 163908220) has the molecular formula C3H8FN3
and a molecular weight of 105.12 g/mol. Its IUPAC name is N-[fluoro(methyl)amino]-N'-methylmethanimidamide.
Molecular Properties
| Compound Name | N-[fluoro(methyl)amino]-N'-methylmethanimidamide |
|---|
| PubChem CID | 163908220 |
|---|
| Molecular Formula | C3H8FN3 |
|---|
| Molecular Weight | 105.12 g/mol |
|---|
| Exact Mass | 105.07 |
|---|
| IUPAC Name | N-[fluoro(methyl)amino]-N'-methylmethanimidamide |
|---|
| SMILES | C/N=C/NN(C)F |
|---|
| InChI | InChI=1S/C3H8FN3/c1-5-3-6-7(2)4/h3H,1-2H3,(H,5,6) |
|---|
| InChIKey | QPVBIPQUNWIAJT-UHFFFAOYSA-N |
|---|
| XLogP | -0.03 |
|---|
| TPSA | 27.63 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 7 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 105.12 |
| LogP ≤ 5 | -0.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N-[fluoro(methyl)amino]-N'-methylmethanimidamide 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-[fluoro(methyl)amino]-N'-methylmethanimidamide?
The IUPAC name of N-[fluoro(methyl)amino]-N'-methylmethanimidamide (CID 163908220) is N-[fluoro(methyl)amino]-N'-methylmethanimidamide.
What is the SMILES notation for N-[fluoro(methyl)amino]-N'-methylmethanimidamide?
The canonical SMILES for N-[fluoro(methyl)amino]-N'-methylmethanimidamide is C/N=C/NN(C)F.
What is the InChIKey of N-[fluoro(methyl)amino]-N'-methylmethanimidamide?
The InChIKey is QPVBIPQUNWIAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FN3/c1-5-3-6-7(2)4/h3H,1-2H3,(H,5,6).
What are the key properties of N-[fluoro(methyl)amino]-N'-methylmethanimidamide?
N-[fluoro(methyl)amino]-N'-methylmethanimidamide has a molecular weight of 105.12 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[fluoro(methyl)amino]-N'-methylmethanimidamide is sourced from PubChem (CID 163908220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).