About [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium
[[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 23154813) has the molecular formula C16H37N6O2+
and a molecular weight of 345.51 g/mol. Its IUPAC name is [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium.
Molecular Properties
| Compound Name | [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium |
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| PubChem CID | 23154813 |
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| Molecular Formula | C16H37N6O2+ |
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| Molecular Weight | 345.51 g/mol |
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| Exact Mass | 345.30 |
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| IUPAC Name | [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium |
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| SMILES | CN(C)C(=NCCOCCOCCNC(N(C)C)=[N+](C)C)N(C)C |
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| InChI | InChI=1S/C16H36N6O2/c1-19(2)15(20(3)4)17-9-11-23-13-14-24-12-10-18-16(21(5)6)22(7)8/h9-14H2,1-8H3/p+1 |
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| InChIKey | IZBHLSVTPIGYKY-UHFFFAOYSA-O |
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| XLogP | -0.72 |
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| TPSA | 55.58 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 24 |
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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 | 345.51 |
| LogP ≤ 5 | -0.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', '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 [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium (CID 23154813) is [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium is CN(C)C(=NCCOCCOCCNC(N(C)C)=[N+](C)C)N(C)C.
What is the InChIKey of [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is IZBHLSVTPIGYKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H36N6O2/c1-19(2)15(20(3)4)17-9-11-23-13-14-24-12-10-18-16(21(5)6)22(7)8/h9-14H2,1-8H3/p+1.
What are the key properties of [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium?
[[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 345.51 g/mol, XLogP of -0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[2-[2-[bis(dimethylamino)methylideneamino]ethoxy]ethoxy]ethylamino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 23154813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).