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

C10H21B2F8N3 — CID 10981175

IUPAC[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate
SMILESCN(C)C=C(C=[N+](C)C)C=[N+](C)C.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C10H21N3.2BF4/c1-11(2)7-10(8-12(3)4)9-13(5)6;2*2-1(3,4)5/h7-9H,1-6H3;;/q+2;2*-1
InChIKeyOFAMJFOIEVPRBN-UHFFFAOYSA-N
MW356.91 g/mol
LogP2.72
Rot. Bonds3

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

[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate (PubChem CID 10981175) has the molecular formula C10H21B2F8N3 and a molecular weight of 356.91 g/mol. Its IUPAC name is [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate.

Molecular Properties

Compound Name[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate
PubChem CID10981175
Molecular FormulaC10H21B2F8N3
Molecular Weight356.91 g/mol
Exact Mass357.18
IUPAC Name[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate
SMILESCN(C)C=C(C=[N+](C)C)C=[N+](C)C.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C10H21N3.2BF4/c1-11(2)7-10(8-12(3)4)9-13(5)6;2*2-1(3,4)5/h7-9H,1-6H3;;/q+2;2*-1
InChIKeyOFAMJFOIEVPRBN-UHFFFAOYSA-N
XLogP2.72
TPSA9.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.91
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 ditetrafluoroborate?
The IUPAC name of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate (CID 10981175) is [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate.
What is the SMILES notation for [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate?
The canonical SMILES for [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate is CN(C)C=C(C=[N+](C)C)C=[N+](C)C.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate?
The InChIKey is OFAMJFOIEVPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.2BF4/c1-11(2)7-10(8-12(3)4)9-13(5)6;2*2-1(3,4)5/h7-9H,1-6H3;;/q+2;2*-1.
What are the key properties of [3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate?
[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate has a molecular weight of 356.91 g/mol, XLogP of 2.72, 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 ditetrafluoroborate is sourced from PubChem (CID 10981175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).