About [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride
[dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride (PubChem CID 87119067) has the molecular formula C6H14ClN3
and a molecular weight of 163.65 g/mol. Its IUPAC name is [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride.
Molecular Properties
| Compound Name | [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride |
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| PubChem CID | 87119067 |
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| Molecular Formula | C6H14ClN3 |
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| Molecular Weight | 163.65 g/mol |
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| Exact Mass | 163.09 |
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| IUPAC Name | [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride |
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| SMILES | C=NC(N(C)C)=[N+](C)C.[Cl-] |
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| InChI | InChI=1S/C6H14N3.ClH/c1-7-6(8(2)3)9(4)5;/h1H2,2-5H3;1H/q+1;/p-1 |
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| InChIKey | AZMKBWWIGAJWCP-UHFFFAOYSA-M |
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| XLogP | -3.12 |
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| TPSA | 18.61 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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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 | 163.65 |
| LogP ≤ 5 | -3.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride?
The IUPAC name of [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride (CID 87119067) is [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride.
What is the SMILES notation for [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride?
The canonical SMILES for [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride is C=NC(N(C)C)=[N+](C)C.[Cl-].
What is the InChIKey of [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride?
The InChIKey is AZMKBWWIGAJWCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N3.ClH/c1-7-6(8(2)3)9(4)5;/h1H2,2-5H3;1H/q+1;/p-1.
What are the key properties of [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride?
[dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride has a molecular weight of 163.65 g/mol, XLogP of -3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-(methylideneamino)methylidene]-dimethylazanium chloride is sourced from PubChem (CID 87119067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).