About N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide (PubChem CID 130436154) has the molecular formula C7H13N3
and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide.
Molecular Properties
| Compound Name | N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide |
|---|
| PubChem CID | 130436154 |
|---|
| Molecular Formula | C7H13N3 |
|---|
| Molecular Weight | 139.20 g/mol |
|---|
| Exact Mass | 139.11 |
|---|
| IUPAC Name | N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide |
|---|
| SMILES | C=C(C)/C(N)=N\C(C)=N\C |
|---|
| InChI | InChI=1S/C7H13N3/c1-5(2)7(8)10-6(3)9-4/h1H2,2-4H3,(H2,8,9,10) |
|---|
| InChIKey | WCDBVGSXXRZLNK-UHFFFAOYSA-N |
|---|
| XLogP | 0.97 |
|---|
| TPSA | 50.74 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 139.20 |
| LogP ≤ 5 | 0.97 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
|---|
Analyze N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide 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'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide?
The IUPAC name of N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide (CID 130436154) is N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide.
What is the SMILES notation for N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide?
The canonical SMILES for N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide is C=C(C)/C(N)=N\C(C)=N\C.
What is the InChIKey of N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide?
The InChIKey is WCDBVGSXXRZLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)7(8)10-6(3)9-4/h1H2,2-4H3,(H2,8,9,10).
What are the key properties of N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide?
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide is sourced from PubChem (CID 130436154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).