[3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium

C18H32N4+2 — CID 76590532

IUPAC[3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium
SMILESCN(C)C=CC(=CC=[N+](C)C)C(C=CN(C)C)=CC=[N+](C)C
InChIInChI=1S/C18H32N4/c1-19(2)13-9-17(10-14-20(3)4)18(11-15-21(5)6)12-16-22(7)8/h9-16H,1-8H3/q+2
InChIKeyMYGJCROAWXNONC-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.68
Rot. Bonds7

About [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium

[3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium (PubChem CID 76590532) has the molecular formula C18H32N4+2 and a molecular weight of 304.48 g/mol. Its IUPAC name is [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium.

Molecular Properties

Compound Name[3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium
PubChem CID76590532
Molecular FormulaC18H32N4+2
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name[3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium
SMILESCN(C)C=CC(=CC=[N+](C)C)C(C=CN(C)C)=CC=[N+](C)C
InChIInChI=1S/C18H32N4/c1-19(2)13-9-17(10-14-20(3)4)18(11-15-21(5)6)12-16-22(7)8/h9-16H,1-8H3/q+2
InChIKeyMYGJCROAWXNONC-UHFFFAOYSA-N
XLogP1.68
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.68
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 [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium?
The IUPAC name of [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium (CID 76590532) is [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium.
What is the SMILES notation for [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium?
The canonical SMILES for [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium is CN(C)C=CC(=CC=[N+](C)C)C(C=CN(C)C)=CC=[N+](C)C.
What is the InChIKey of [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium?
The InChIKey is MYGJCROAWXNONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-19(2)13-9-17(10-14-20(3)4)18(11-15-21(5)6)12-16-22(7)8/h9-16H,1-8H3/q+2.
What are the key properties of [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium?
[3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium has a molecular weight of 304.48 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis[2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium is sourced from PubChem (CID 76590532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).