dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate

C11H27BF4N+ — CID 174806932

IUPACdibutyl-ethyl-methylazanium;hydron;tetrafluoroborate
SMILESCCCC[N+](C)(CC)CCCC.F[B-](F)(F)F.[H+]
InChIInChI=1S/C11H26N.BF4/c1-5-8-10-12(4,7-3)11-9-6-2;2-1(3,4)5/h5-11H2,1-4H3;/q+1;-1/p+1
InChIKeyREIWYGUBEOKIIC-UHFFFAOYSA-O
MW260.15 g/mol
LogP4.47
Rot. Bonds7

About dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate

dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate (PubChem CID 174806932) has the molecular formula C11H27BF4N+ and a molecular weight of 260.15 g/mol. Its IUPAC name is dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate.

Molecular Properties

Compound Namedibutyl-ethyl-methylazanium;hydron;tetrafluoroborate
PubChem CID174806932
Molecular FormulaC11H27BF4N+
Molecular Weight260.15 g/mol
Exact Mass260.22
IUPAC Namedibutyl-ethyl-methylazanium;hydron;tetrafluoroborate
SMILESCCCC[N+](C)(CC)CCCC.F[B-](F)(F)F.[H+]
InChIInChI=1S/C11H26N.BF4/c1-5-8-10-12(4,7-3)11-9-6-2;2-1(3,4)5/h5-11H2,1-4H3;/q+1;-1/p+1
InChIKeyREIWYGUBEOKIIC-UHFFFAOYSA-O
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dibutyl-ethyl-methylazanium chloride
CID 22486999
butyl-ethyl-methyl-pentylazanium
CID 87508333
ethyl-methyl-di(undecyl)azanium
CID 156729684
methane;tetrabutylazanium;tritetrafluoroborate
CID 173499905
dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
CID 87517181
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670
tributyl(dodecyl)azanium tetrafluoroborate
CID 141411504
dodecyl-diethyl-methylazanium
CID 14494908
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
dibutyl-methyl-pentylazanium
CID 21452154
aluminum;tributyl(methyl)azanium;tetrachloride
CID 173050889
docosyl-diethyl-methylazanium chloride
CID 87975854

Frequently Asked Questions

What is the IUPAC name of dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate?
The IUPAC name of dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate (CID 174806932) is dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate.
What is the SMILES notation for dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate?
The canonical SMILES for dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate is CCCC[N+](C)(CC)CCCC.F[B-](F)(F)F.[H+].
What is the InChIKey of dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate?
The InChIKey is REIWYGUBEOKIIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H26N.BF4/c1-5-8-10-12(4,7-3)11-9-6-2;2-1(3,4)5/h5-11H2,1-4H3;/q+1;-1/p+1.
What are the key properties of dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate?
dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate has a molecular weight of 260.15 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate is sourced from PubChem (CID 174806932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).