[(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium

C14H28N4+2 — CID 6391389

IUPAC[(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium
SMILESCN(C)/C=C(C=[N+](C)C)/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C14H28N4/c1-15(2)9-13(10-16(3)4)14(11-17(5)6)12-18(7)8/h9-12H,1-8H3/q+2
InChIKeyCAFFMBHZWGPROX-UHFFFAOYSA-N
MW252.41 g/mol
LogP0.56
Rot. Bonds5

About [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium

[(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium (PubChem CID 6391389) has the molecular formula C14H28N4+2 and a molecular weight of 252.41 g/mol. Its IUPAC name is [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium
PubChem CID6391389
Molecular FormulaC14H28N4+2
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name[(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium
SMILESCN(C)/C=C(C=[N+](C)C)/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C14H28N4/c1-15(2)9-13(10-16(3)4)14(11-17(5)6)12-18(7)8/h9-12H,1-8H3/q+2
InChIKeyCAFFMBHZWGPROX-UHFFFAOYSA-N
XLogP0.56
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium?
The IUPAC name of [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium (CID 6391389) is [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium?
The canonical SMILES for [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium is CN(C)/C=C(C=[N+](C)C)/C(C=[N+](C)C)=C\N(C)C.
What is the InChIKey of [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium?
The InChIKey is CAFFMBHZWGPROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-15(2)9-13(10-16(3)4)14(11-17(5)6)12-18(7)8/h9-12H,1-8H3/q+2.
What are the key properties of [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium?
[(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium has a molecular weight of 252.41 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2E)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium is sourced from PubChem (CID 6391389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).