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

C10H21F6N4P — CID 73315154

IUPAC[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C=C(C=[N+](C)C)/N=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 [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate

[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate (PubChem CID 73315154) has the molecular formula C10H21F6N4P and a molecular weight of 342.27 g/mol. Its IUPAC name is [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
PubChem CID73315154
Molecular FormulaC10H21F6N4P
Molecular Weight342.27 g/mol
Exact Mass342.14
IUPAC Name[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C=C(C=[N+](C)C)/N=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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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The IUPAC name of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate (CID 73315154) is [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The canonical SMILES for [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate is CN(C)C=C(C=[N+](C)C)/N=C/N(C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [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 [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
[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 [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 73315154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).