diethylaminomethylidene(diethyl)azanium tetrafluoroborate

C9H21BF4N2 — CID 11032101

IUPACdiethylaminomethylidene(diethyl)azanium tetrafluoroborate
SMILESCCN(C=[N+](CC)CC)CC.F[B-](F)(F)F
InChIInChI=1S/C9H21N2.BF4/c1-5-10(6-2)9-11(7-3)8-4;2-1(3,4)5/h9H,5-8H2,1-4H3;/q+1;-1
InChIKeyYLAOUPHCLGTQLA-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.71
Rot. Bonds5

About diethylaminomethylidene(diethyl)azanium tetrafluoroborate

diethylaminomethylidene(diethyl)azanium tetrafluoroborate (PubChem CID 11032101) has the molecular formula C9H21BF4N2 and a molecular weight of 244.08 g/mol. Its IUPAC name is diethylaminomethylidene(diethyl)azanium tetrafluoroborate.

Molecular Properties

Compound Namediethylaminomethylidene(diethyl)azanium tetrafluoroborate
PubChem CID11032101
Molecular FormulaC9H21BF4N2
Molecular Weight244.08 g/mol
Exact Mass244.17
IUPAC Namediethylaminomethylidene(diethyl)azanium tetrafluoroborate
SMILESCCN(C=[N+](CC)CC)CC.F[B-](F)(F)F
InChIInChI=1S/C9H21N2.BF4/c1-5-10(6-2)9-11(7-3)8-4;2-1(3,4)5/h9H,5-8H2,1-4H3;/q+1;-1
InChIKeyYLAOUPHCLGTQLA-UHFFFAOYSA-N
XLogP2.71
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.71
H-Bond Donors ≤ 50
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 diethylaminomethylidene(diethyl)azanium tetrafluoroborate?
The IUPAC name of diethylaminomethylidene(diethyl)azanium tetrafluoroborate (CID 11032101) is diethylaminomethylidene(diethyl)azanium tetrafluoroborate.
What is the SMILES notation for diethylaminomethylidene(diethyl)azanium tetrafluoroborate?
The canonical SMILES for diethylaminomethylidene(diethyl)azanium tetrafluoroborate is CCN(C=[N+](CC)CC)CC.F[B-](F)(F)F.
What is the InChIKey of diethylaminomethylidene(diethyl)azanium tetrafluoroborate?
The InChIKey is YLAOUPHCLGTQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2.BF4/c1-5-10(6-2)9-11(7-3)8-4;2-1(3,4)5/h9H,5-8H2,1-4H3;/q+1;-1.
What are the key properties of diethylaminomethylidene(diethyl)azanium tetrafluoroborate?
diethylaminomethylidene(diethyl)azanium tetrafluoroborate has a molecular weight of 244.08 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminomethylidene(diethyl)azanium tetrafluoroborate is sourced from PubChem (CID 11032101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).