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

C12H27N3+2 — CID 144603658

IUPAC[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane
SMILESCC.CN(C)C=C(C=[N+](C)C)C=[N+](C)C
InChIInChI=1S/C10H21N3.C2H6/c1-11(2)7-10(8-12(3)4)9-13(5)6;1-2/h7-9H,1-6H3;1-2H3/q+2;
InChIKeyQXFAIBKBZGNRTR-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds3

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

[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane (PubChem CID 144603658) has the molecular formula C12H27N3+2 and a molecular weight of 213.37 g/mol. Its IUPAC name is [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane.

Molecular Properties

Compound Name[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane
PubChem CID144603658
Molecular FormulaC12H27N3+2
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane
SMILESCC.CN(C)C=C(C=[N+](C)C)C=[N+](C)C
InChIInChI=1S/C10H21N3.C2H6/c1-11(2)7-10(8-12(3)4)9-13(5)6;1-2/h7-9H,1-6H3;1-2H3/q+2;
InChIKeyQXFAIBKBZGNRTR-UHFFFAOYSA-N
XLogP1.14
TPSA9.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane?
The IUPAC name of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane (CID 144603658) is [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane.
What is the SMILES notation for [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane?
The canonical SMILES for [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane is CC.CN(C)C=C(C=[N+](C)C)C=[N+](C)C.
What is the InChIKey of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane?
The InChIKey is QXFAIBKBZGNRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.C2H6/c1-11(2)7-10(8-12(3)4)9-13(5)6;1-2/h7-9H,1-6H3;1-2H3/q+2;.
What are the key properties of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane?
[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane has a molecular weight of 213.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;ethane is sourced from PubChem (CID 144603658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).