tributyl(hexadecyl)azanium

C28H60N+ — CID 3083031

IUPACtributyl(hexadecyl)azanium
SMILESCCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C28H60N/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4/h5-28H2,1-4H3/q+1
InChIKeyHNTQYVHJXDXWDT-UHFFFAOYSA-N
MW410.80 g/mol
LogP9.68
Rot. Bonds24

About tributyl(hexadecyl)azanium

tributyl(hexadecyl)azanium (PubChem CID 3083031) has the molecular formula C28H60N+ and a molecular weight of 410.80 g/mol. Its IUPAC name is tributyl(hexadecyl)azanium.

Molecular Properties

Compound Nametributyl(hexadecyl)azanium
PubChem CID3083031
Molecular FormulaC28H60N+
Molecular Weight410.80 g/mol
Exact Mass410.47
IUPAC Nametributyl(hexadecyl)azanium
SMILESCCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C28H60N/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4/h5-28H2,1-4H3/q+1
InChIKeyHNTQYVHJXDXWDT-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.80
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibutyl(diheptyl)azanium
CID 87534229
tributyl(heptyl)azanium
CID 5003685
tributyl(triacontyl)azanium
CID 153322884
tributyl(dodecyl)azanium bromide
CID 19858509
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
dibutyl(dihexadecyl)azanium chloride
CID 87778770
dibutyl(dihexadecyl)azanium bromide
CID 87776722
tributyl(octacosyl)azanium bromide
CID 153322850
octyl-tri(pentadecyl)azanium
CID 87809127
tri(heptadecyl)-octylazanium
CID 87809516
pentyl-tri(tridecyl)azanium
CID 87897500

Frequently Asked Questions

What is the IUPAC name of tributyl(hexadecyl)azanium?
The IUPAC name of tributyl(hexadecyl)azanium (CID 3083031) is tributyl(hexadecyl)azanium.
What is the SMILES notation for tributyl(hexadecyl)azanium?
The canonical SMILES for tributyl(hexadecyl)azanium is CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(hexadecyl)azanium?
The InChIKey is HNTQYVHJXDXWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4/h5-28H2,1-4H3/q+1.
What are the key properties of tributyl(hexadecyl)azanium?
tributyl(hexadecyl)azanium has a molecular weight of 410.80 g/mol, XLogP of 9.68, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(hexadecyl)azanium is sourced from PubChem (CID 3083031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).