About [amino(dimethylamino)methylidene]-dimethylazanium
[amino(dimethylamino)methylidene]-dimethylazanium (PubChem CID 15603) has the molecular formula C5H14N3+
and a molecular weight of 116.19 g/mol. Its IUPAC name is [amino(dimethylamino)methylidene]-dimethylazanium.
Molecular Properties
| Compound Name | [amino(dimethylamino)methylidene]-dimethylazanium |
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| PubChem CID | 15603 |
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| Molecular Formula | C5H14N3+ |
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| Molecular Weight | 116.19 g/mol |
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| Exact Mass | 116.12 |
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| IUPAC Name | [amino(dimethylamino)methylidene]-dimethylazanium |
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| SMILES | CN(C)C(N)=[N+](C)C |
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| InChI | InChI=1S/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3/p+1 |
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| InChIKey | KYVBNYUBXIEUFW-UHFFFAOYSA-O |
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| XLogP | -0.87 |
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| TPSA | 32.27 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 116.19 |
| LogP ≤ 5 | -0.87 |
| H-Bond Donors ≤ 5 | 1 |
| 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 [amino(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [amino(dimethylamino)methylidene]-dimethylazanium (CID 15603) is [amino(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [amino(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [amino(dimethylamino)methylidene]-dimethylazanium is CN(C)C(N)=[N+](C)C.
What is the InChIKey of [amino(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is KYVBNYUBXIEUFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3/p+1.
What are the key properties of [amino(dimethylamino)methylidene]-dimethylazanium?
[amino(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 116.19 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 15603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).