About N'-methyl-N-(methylamino)carbamimidoyl chloride
N'-methyl-N-(methylamino)carbamimidoyl chloride (PubChem CID 155265227) has the molecular formula C3H8ClN3
and a molecular weight of 121.57 g/mol. Its IUPAC name is N'-methyl-N-(methylamino)carbamimidoyl chloride.
Molecular Properties
| Compound Name | N'-methyl-N-(methylamino)carbamimidoyl chloride |
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| PubChem CID | 155265227 |
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| Molecular Formula | C3H8ClN3 |
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| Molecular Weight | 121.57 g/mol |
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| Exact Mass | 121.04 |
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| IUPAC Name | N'-methyl-N-(methylamino)carbamimidoyl chloride |
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| SMILES | C/N=C(\Cl)NNC |
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| InChI | InChI=1S/C3H8ClN3/c1-5-3(4)7-6-2/h6H,1-2H3,(H,5,7) |
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| InChIKey | OBWQFBSYPULJDW-UHFFFAOYSA-N |
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| XLogP | -0.06 |
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| TPSA | 36.42 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 7 |
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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 | 121.57 |
| LogP ≤ 5 | -0.06 |
| H-Bond Donors ≤ 5 | 2 |
| 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-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-methyl-N-(methylamino)carbamimidoyl chloride?
The IUPAC name of N'-methyl-N-(methylamino)carbamimidoyl chloride (CID 155265227) is N'-methyl-N-(methylamino)carbamimidoyl chloride.
What is the SMILES notation for N'-methyl-N-(methylamino)carbamimidoyl chloride?
The canonical SMILES for N'-methyl-N-(methylamino)carbamimidoyl chloride is C/N=C(\Cl)NNC.
What is the InChIKey of N'-methyl-N-(methylamino)carbamimidoyl chloride?
The InChIKey is OBWQFBSYPULJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClN3/c1-5-3(4)7-6-2/h6H,1-2H3,(H,5,7).
What are the key properties of N'-methyl-N-(methylamino)carbamimidoyl chloride?
N'-methyl-N-(methylamino)carbamimidoyl chloride has a molecular weight of 121.57 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(methylamino)carbamimidoyl chloride is sourced from PubChem (CID 155265227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).