[dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate

C7H18BF4N3 — CID 131729405

IUPAC[dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate
SMILESCCNC(N(C)C)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C7H17N3.BF4/c1-6-8-7(9(2)3)10(4)5;2-1(3,4)5/h6H2,1-5H3;/q;-1/p+1
InChIKeyQTRNFFIKNRXDRH-UHFFFAOYSA-O
MW231.05 g/mol
LogP1.09
Rot. Bonds1

About [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate

[dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate (PubChem CID 131729405) has the molecular formula C7H18BF4N3 and a molecular weight of 231.05 g/mol. Its IUPAC name is [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate.

Molecular Properties

Compound Name[dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate
PubChem CID131729405
Molecular FormulaC7H18BF4N3
Molecular Weight231.05 g/mol
Exact Mass231.15
IUPAC Name[dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate
SMILESCCNC(N(C)C)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C7H17N3.BF4/c1-6-8-7(9(2)3)10(4)5;2-1(3,4)5/h6H2,1-5H3;/q;-1/p+1
InChIKeyQTRNFFIKNRXDRH-UHFFFAOYSA-O
XLogP1.09
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate?
The IUPAC name of [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate (CID 131729405) is [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate.
What is the SMILES notation for [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate?
The canonical SMILES for [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate is CCNC(N(C)C)=[N+](C)C.F[B-](F)(F)F.
What is the InChIKey of [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate?
The InChIKey is QTRNFFIKNRXDRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N3.BF4/c1-6-8-7(9(2)3)10(4)5;2-1(3,4)5/h6H2,1-5H3;/q;-1/p+1.
What are the key properties of [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate?
[dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate has a molecular weight of 231.05 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate is sourced from PubChem (CID 131729405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).