tetra(octan-4-yl)azanium fluoride

C32H68FN — CID 87832016

IUPACtetra(octan-4-yl)azanium fluoride
SMILESCCCCC(CCC)[N+](C(CCC)CCCC)(C(CCC)CCCC)C(CCC)CCCC.[F-]
InChIInChI=1S/C32H68N.FH/c1-9-17-25-29(21-13-5)33(30(22-14-6)26-18-10-2,31(23-15-7)27-19-11-3)32(24-16-8)28-20-12-4;/h29-32H,9-28H2,1-8H3;1H/q+1;/p-1
InChIKeyRYIQVCHGPXYNJM-UHFFFAOYSA-M
MW485.90 g/mol
LogP8.24
Rot. Bonds24

About tetra(octan-4-yl)azanium fluoride

tetra(octan-4-yl)azanium fluoride (PubChem CID 87832016) has the molecular formula C32H68FN and a molecular weight of 485.90 g/mol. Its IUPAC name is tetra(octan-4-yl)azanium fluoride.

Molecular Properties

Compound Nametetra(octan-4-yl)azanium fluoride
PubChem CID87832016
Molecular FormulaC32H68FN
Molecular Weight485.90 g/mol
Exact Mass485.53
IUPAC Nametetra(octan-4-yl)azanium fluoride
SMILESCCCCC(CCC)[N+](C(CCC)CCCC)(C(CCC)CCCC)C(CCC)CCCC.[F-]
InChIInChI=1S/C32H68N.FH/c1-9-17-25-29(21-13-5)33(30(22-14-6)26-18-10-2,31(23-15-7)27-19-11-3)32(24-16-8)28-20-12-4;/h29-32H,9-28H2,1-8H3;1H/q+1;/p-1
InChIKeyRYIQVCHGPXYNJM-UHFFFAOYSA-M
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.90
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(nonan-5-yl)azanium
CID 14113823
tributyl(heptan-3-yl)azanium hydroxide
CID 87346381
decan-5-yl(trimethyl)azanium
CID 71390285
dimethyl-di(octan-3-yl)azanium
CID 155126039
4,5-diethylnonane
CID 21188862
dibutyl-ethyl-methylphosphanium
CID 58444360
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
5-ethylnonane;5-propylnonane
CID 157441807
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
tetrakis(nonan-5-olate);tin(4+)
CID 160574109
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392

Frequently Asked Questions

What is the IUPAC name of tetra(octan-4-yl)azanium fluoride?
The IUPAC name of tetra(octan-4-yl)azanium fluoride (CID 87832016) is tetra(octan-4-yl)azanium fluoride.
What is the SMILES notation for tetra(octan-4-yl)azanium fluoride?
The canonical SMILES for tetra(octan-4-yl)azanium fluoride is CCCCC(CCC)[N+](C(CCC)CCCC)(C(CCC)CCCC)C(CCC)CCCC.[F-].
What is the InChIKey of tetra(octan-4-yl)azanium fluoride?
The InChIKey is RYIQVCHGPXYNJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H68N.FH/c1-9-17-25-29(21-13-5)33(30(22-14-6)26-18-10-2,31(23-15-7)27-19-11-3)32(24-16-8)28-20-12-4;/h29-32H,9-28H2,1-8H3;1H/q+1;/p-1.
What are the key properties of tetra(octan-4-yl)azanium fluoride?
tetra(octan-4-yl)azanium fluoride has a molecular weight of 485.90 g/mol, XLogP of 8.24, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetra(octan-4-yl)azanium fluoride is sourced from PubChem (CID 87832016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).