[[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium

C14H28N5+ — CID 129291520

IUPAC[[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium
SMILESC=CN(CC)C(=NC(N(C)C)=[N+](C)C)N(C=C)CC
InChIInChI=1S/C14H28N5/c1-9-18(10-2)14(19(11-3)12-4)15-13(16(5)6)17(7)8/h9,11H,1,3,10,12H2,2,4-8H3/q+1
InChIKeyBAGLMIZUKTXBNH-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.46
Rot. Bonds4

About [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium

[[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 129291520) has the molecular formula C14H28N5+ and a molecular weight of 266.41 g/mol. Its IUPAC name is [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID129291520
Molecular FormulaC14H28N5+
Molecular Weight266.41 g/mol
Exact Mass266.23
IUPAC Name[[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium
SMILESC=CN(CC)C(=NC(N(C)C)=[N+](C)C)N(C=C)CC
InChIInChI=1S/C14H28N5/c1-9-18(10-2)14(19(11-3)12-4)15-13(16(5)6)17(7)8/h9,11H,1,3,10,12H2,2,4-8H3/q+1
InChIKeyBAGLMIZUKTXBNH-UHFFFAOYSA-N
XLogP1.46
TPSA25.09 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium (CID 129291520) is [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium is C=CN(CC)C(=NC(N(C)C)=[N+](C)C)N(C=C)CC.
What is the InChIKey of [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is BAGLMIZUKTXBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N5/c1-9-18(10-2)14(19(11-3)12-4)15-13(16(5)6)17(7)8/h9,11H,1,3,10,12H2,2,4-8H3/q+1.
What are the key properties of [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium?
[[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 266.41 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis[ethenyl(ethyl)amino]methylideneamino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 129291520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).