[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane

C12H28N4+2 — CID 143740498

IUPAC[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane
SMILESCC.CN(C)/C=C(/C=[N+](C)C)NC=[N+](C)C
InChIInChI=1S/C10H21N4.C2H6/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;1-2/h7-9H,1-6H3;1-2H3/q+1;/p+1
InChIKeyYLNLORAHCJTIGH-UHFFFAOYSA-O
MW228.38 g/mol
LogP0.65
Rot. Bonds4

About [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane

[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane (PubChem CID 143740498) has the molecular formula C12H28N4+2 and a molecular weight of 228.38 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane
PubChem CID143740498
Molecular FormulaC12H28N4+2
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane
SMILESCC.CN(C)/C=C(/C=[N+](C)C)NC=[N+](C)C
InChIInChI=1S/C10H21N4.C2H6/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;1-2/h7-9H,1-6H3;1-2H3/q+1;/p+1
InChIKeyYLNLORAHCJTIGH-UHFFFAOYSA-O
XLogP0.65
TPSA21.29 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 10803918
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 57359127
[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
CID 2724950
[(Z)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
[3-(Dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
CID 78291301
N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
CID 90453085
[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium
CID 90850662
N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide
CID 123751085
N'-[(Z)-2-aminoethenyl]-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
CID 141768011
[(E)-2-(dimethylazaniumylidenemethylamino)-3-(methylamino)prop-2-enylidene]-dimethylazanium
CID 143740484
N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide
CID 155310279

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane?
The IUPAC name of [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane (CID 143740498) is [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane is CC.CN(C)/C=C(/C=[N+](C)C)NC=[N+](C)C.
What is the InChIKey of [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane?
The InChIKey is YLNLORAHCJTIGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21N4.C2H6/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;1-2/h7-9H,1-6H3;1-2H3/q+1;/p+1.
What are the key properties of [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane?
[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane has a molecular weight of 228.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane is sourced from PubChem (CID 143740498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).