About N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide (PubChem CID 155041471) has the molecular formula C8H15N3
and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide.
Molecular Properties
| Compound Name | N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide |
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| PubChem CID | 155041471 |
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| Molecular Formula | C8H15N3 |
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| Molecular Weight | 153.23 g/mol |
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| Exact Mass | 153.13 |
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| IUPAC Name | N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide |
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| SMILES | C=N/C(=N\C(C)=N\C)C(C)C |
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| InChI | InChI=1S/C8H15N3/c1-6(2)8(10-5)11-7(3)9-4/h6H,5H2,1-4H3/b9-7+,11-8- |
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| InChIKey | VFJLHJBJTZDQIE-BGZVTZOUSA-N |
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| XLogP | 1.79 |
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| TPSA | 37.08 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 153.23 |
| LogP ≤ 5 | 1.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide?
The IUPAC name of N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide (CID 155041471) is N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide.
What is the SMILES notation for N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide?
The canonical SMILES for N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide is C=N/C(=N\C(C)=N\C)C(C)C.
What is the InChIKey of N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide?
The InChIKey is VFJLHJBJTZDQIE-BGZVTZOUSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)8(10-5)11-7(3)9-4/h6H,5H2,1-4H3/b9-7+,11-8-.
What are the key properties of N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide?
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide is sourced from PubChem (CID 155041471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).