About [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium
[dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium (PubChem CID 139202005) has the molecular formula C16H28N6+2
and a molecular weight of 304.44 g/mol. Its IUPAC name is [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium.
Molecular Properties
| Compound Name | [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium |
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| PubChem CID | 139202005 |
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| Molecular Formula | C16H28N6+2 |
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| Molecular Weight | 304.44 g/mol |
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| Exact Mass | 304.24 |
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| IUPAC Name | [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium |
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| SMILES | CN(C)C(N=C1C=CC(=NC(N(C)C)=[N+](C)C)C=C1)=[N+](C)C |
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| InChI | InChI=1S/C16H28N6/c1-19(2)15(20(3)4)17-13-9-11-14(12-10-13)18-16(21(5)6)22(7)8/h9-12H,1-8H3/q+2 |
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| InChIKey | DMDLAAKDRASVPS-UHFFFAOYSA-N |
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| XLogP | 0.37 |
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| TPSA | 37.22 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 | 22 |
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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 | 304.44 |
| LogP ≤ 5 | 0.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'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-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium (CID 139202005) is [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium is CN(C)C(N=C1C=CC(=NC(N(C)C)=[N+](C)C)C=C1)=[N+](C)C.
What is the InChIKey of [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium?
The InChIKey is DMDLAAKDRASVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-19(2)15(20(3)4)17-13-9-11-14(12-10-13)18-16(21(5)6)22(7)8/h9-12H,1-8H3/q+2.
What are the key properties of [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium?
[dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium has a molecular weight of 304.44 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[[4-[dimethylamino(dimethylazaniumylidene)methyl]iminocyclohexa-2,5-dien-1-ylidene]amino]methylidene]-dimethylazanium is sourced from PubChem (CID 139202005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).