[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate

C10H21F6N4P — CID 16733380

IUPAC[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)/C=N/C(C=[N+](C)C)=C/N(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H21N4.F6P/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;1-7(2,3,4,5)6/h7-9H,1-6H3;/q+1;-1/b11-9+;
InChIKeyGRXVCYNCNPTQPV-LBEJWNQZSA-N
MW342.27 g/mol
LogP3.70
Rot. Bonds4

About [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate

[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate (PubChem CID 16733380) has the molecular formula C10H21F6N4P and a molecular weight of 342.27 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
PubChem CID16733380
Molecular FormulaC10H21F6N4P
Molecular Weight342.27 g/mol
Exact Mass342.14
IUPAC Name[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)/C=N/C(C=[N+](C)C)=C/N(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H21N4.F6P/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;1-7(2,3,4,5)6/h7-9H,1-6H3;/q+1;-1/b11-9+;
InChIKeyGRXVCYNCNPTQPV-LBEJWNQZSA-N
XLogP3.70
TPSA21.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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
N-((2Z)-3-(dimethylamino)-2-{[(1E)-(dimethylamino)methylene]amino}prop-2-en-1-ylidene)-N-methylmethanaminium hexafluorophosphate
CID 23636340
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 57359127
[(Z)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane
CID 160669560
[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;dihexafluorophosphate
CID 2724949
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
CID 73315154
N-(3-(Dimethylamino)-2-(((dimethylamino)methylene)amino)allylidene)-N-methylmethanaminium hexafluorophosphate(V)
CID 118986657
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;dihexafluorophosphate
CID 126963462
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;hydron;dihexafluorophosphate
CID 129895969
N-[3-(Dimethylamino)-2-{[(dimethylamino)methylene]aminoprop-2-EN-1-ylidene]-N-methylmethanaminium hydrogen dihexafluorophosphate
CID 154734092
[(E)-1-(dimethylamino)-3-dimethylazaniumylideneprop-1-en-2-yl]iminomethyl-dimethylazanium dihexafluorophosphate
CID 172898534

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The IUPAC name of [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate (CID 16733380) is [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The canonical SMILES for [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate is CN(C)/C=N/C(C=[N+](C)C)=C/N(C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The InChIKey is GRXVCYNCNPTQPV-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H21N4.F6P/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;1-7(2,3,4,5)6/h7-9H,1-6H3;/q+1;-1/b11-9+;.
What are the key properties of [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate has a molecular weight of 342.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 16733380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).