cyclohexyl(trimethyl)azanium tetrafluoroborate

C9H20BF4N — CID 139649769

IUPACcyclohexyl(trimethyl)azanium tetrafluoroborate
SMILESC[N+](C)(C)C1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C9H20N.BF4/c1-10(2,3)9-7-5-4-6-8-9;2-1(3,4)5/h9H,4-8H2,1-3H3;/q+1;-1
InChIKeyBLTREAMRCWSGJS-UHFFFAOYSA-N
MW229.07 g/mol
LogP3.33
Rot. Bonds1

About cyclohexyl(trimethyl)azanium tetrafluoroborate

cyclohexyl(trimethyl)azanium tetrafluoroborate (PubChem CID 139649769) has the molecular formula C9H20BF4N and a molecular weight of 229.07 g/mol. Its IUPAC name is cyclohexyl(trimethyl)azanium tetrafluoroborate.

Molecular Properties

Compound Namecyclohexyl(trimethyl)azanium tetrafluoroborate
PubChem CID139649769
Molecular FormulaC9H20BF4N
Molecular Weight229.07 g/mol
Exact Mass229.16
IUPAC Namecyclohexyl(trimethyl)azanium tetrafluoroborate
SMILESC[N+](C)(C)C1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C9H20N.BF4/c1-10(2,3)9-7-5-4-6-8-9;2-1(3,4)5/h9H,4-8H2,1-3H3;/q+1;-1
InChIKeyBLTREAMRCWSGJS-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 53.33
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

cyclodecyl(trimethyl)azanium chloride
CID 134900881
cyclododecyl(trimethyl)azanium bromide
CID 175020477
cyclohexyl(trimethyl)azanium;fluoroform
CID 158064313
tris(cyclododecyl(trimethyl)azanium);phosphate
CID 175529097
cyclohexyl(trimethyl)azanium nitrate
CID 15953491
cyclohexyl-dimethyl-sulfanylazanium
CID 143973159
cyclohexyl-(difluoromethyl)-dimethylazanium iodide
CID 24750838
cyclohexyl(dimethyl)azanium tritetrafluoroborate
CID 170457833
tetra(cyclodecyl)azanium bromide
CID 139704805
cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
CID 171472457
cyclohexyl-hydroxy-dimethylazanium perchlorate
CID 16726157
bis(methanedithiolate);tetrakis(methylcyclopentane);tetrakis(molybdenum(2+));sulfanide;ditetrafluoroborate
CID 23231762

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(trimethyl)azanium tetrafluoroborate?
The IUPAC name of cyclohexyl(trimethyl)azanium tetrafluoroborate (CID 139649769) is cyclohexyl(trimethyl)azanium tetrafluoroborate.
What is the SMILES notation for cyclohexyl(trimethyl)azanium tetrafluoroborate?
The canonical SMILES for cyclohexyl(trimethyl)azanium tetrafluoroborate is C[N+](C)(C)C1CCCCC1.F[B-](F)(F)F.
What is the InChIKey of cyclohexyl(trimethyl)azanium tetrafluoroborate?
The InChIKey is BLTREAMRCWSGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.BF4/c1-10(2,3)9-7-5-4-6-8-9;2-1(3,4)5/h9H,4-8H2,1-3H3;/q+1;-1.
What are the key properties of cyclohexyl(trimethyl)azanium tetrafluoroborate?
cyclohexyl(trimethyl)azanium tetrafluoroborate has a molecular weight of 229.07 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(trimethyl)azanium tetrafluoroborate is sourced from PubChem (CID 139649769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).