[(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium

C11H23N3+2 — CID 59549141

IUPAC[(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium
SMILESCN(C)/C=C(/C=[N+](C)C)CC=[N+](C)C
InChIInChI=1S/C11H23N3/c1-12(2)8-7-11(9-13(3)4)10-14(5)6/h8-10H,7H2,1-6H3/q+2
InChIKeyVDNPCGDCDXCUTE-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.51
Rot. Bonds4

About [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium

[(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium (PubChem CID 59549141) has the molecular formula C11H23N3+2 and a molecular weight of 197.33 g/mol. Its IUPAC name is [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium
PubChem CID59549141
Molecular FormulaC11H23N3+2
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name[(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium
SMILESCN(C)/C=C(/C=[N+](C)C)CC=[N+](C)C
InChIInChI=1S/C11H23N3/c1-12(2)8-7-11(9-13(3)4)10-14(5)6/h8-10H,7H2,1-6H3/q+2
InChIKeyVDNPCGDCDXCUTE-UHFFFAOYSA-N
XLogP0.51
TPSA9.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.51
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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Related Compounds

2-[(Dimethylamino)methylene]-N1,N1,N3,N3-tetramethyl-1,3-propanediaminium
CID 10981176
[(Z,2Z)-4-(dimethylamino)-2-(dimethylaminomethylidene)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium
CID 6313681
[(2E)-2-(dimethylaminomethylidene)-4,4,4-trifluorobutylidene]-dimethylazanium
CID 132109956
[(2E)-2-(dimethylaminomethylidene)butylidene]-dimethylazanium perchlorate
CID 12220709
1-Dimethylamino-2-methylpropenylidenedimethylammonium iodide
CID 129808787
[2-(Dimethylaminomethylidene)-4,4,4-trifluorobutylidene]-dimethylazanium
CID 173799187
[(2Z,3Z)-4-(dimethylamino)-2-(dimethylamino)methylene-3-[(dimethylazaniumylidene)methyl]-3-butenylidene]bis(methyl)azanium
CID 6391389
[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-dimethylazanium
CID 10803096
[(Z)-3-(dimethylamino)-2-methylprop-2-enylidene]-dimethylazanium
CID 12226447
(Z)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine
CID 20667854
1,4-dimethyl-3H-pyrrol-1-ium
CID 20688981
(E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine
CID 59959971

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium?
The IUPAC name of [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium (CID 59549141) is [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium is CN(C)/C=C(/C=[N+](C)C)CC=[N+](C)C.
What is the InChIKey of [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium?
The InChIKey is VDNPCGDCDXCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-12(2)8-7-11(9-13(3)4)10-14(5)6/h8-10H,7H2,1-6H3/q+2.
What are the key properties of [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium?
[(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium has a molecular weight of 197.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium is sourced from PubChem (CID 59549141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).