dibutyl(octadecyl)azanium

C26H56N+ — CID 18405855

IUPACdibutyl(octadecyl)azanium
SMILESCCCCCCCCCCCCCCCCCC[NH+](CCCC)CCCC
InChIInChI=1S/C26H55N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(24-8-5-2)25-9-6-3/h4-26H2,1-3H3/p+1
InChIKeyYEVRYVXXLRUQBJ-UHFFFAOYSA-O
MW382.74 g/mol
LogP7.73
Rot. Bonds23

About dibutyl(octadecyl)azanium

dibutyl(octadecyl)azanium (PubChem CID 18405855) has the molecular formula C26H56N+ and a molecular weight of 382.74 g/mol. Its IUPAC name is dibutyl(octadecyl)azanium.

Molecular Properties

Compound Namedibutyl(octadecyl)azanium
PubChem CID18405855
Molecular FormulaC26H56N+
Molecular Weight382.74 g/mol
Exact Mass382.44
IUPAC Namedibutyl(octadecyl)azanium
SMILESCCCCCCCCCCCCCCCCCC[NH+](CCCC)CCCC
InChIInChI=1S/C26H55N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(24-8-5-2)25-9-6-3/h4-26H2,1-3H3/p+1
InChIKeyYEVRYVXXLRUQBJ-UHFFFAOYSA-O
XLogP7.73
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-hexyl-pentylazanium chloride
CID 139955344
tridodecylazanium iodide
CID 23216258
trihexylazanium bromide
CID 54105866
trioctylazanium hydroxide
CID 22253318
tripentylazanium
CID 6993016
diethyl(tricosyl)azanium chloride
CID 141276977
dibutyl(propyl)azanium;propane
CID 176561403
dibutyl(2-hexoxyethyl)azanium chloride
CID 18529341
dibutyl(3-hydroxypropyl)azanium
CID 36690466
dibutyl(2-hydroxyethyl)azanium
CID 18920823
iodomethane;octadecane
CID 174964097
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of dibutyl(octadecyl)azanium?
The IUPAC name of dibutyl(octadecyl)azanium (CID 18405855) is dibutyl(octadecyl)azanium.
What is the SMILES notation for dibutyl(octadecyl)azanium?
The canonical SMILES for dibutyl(octadecyl)azanium is CCCCCCCCCCCCCCCCCC[NH+](CCCC)CCCC.
What is the InChIKey of dibutyl(octadecyl)azanium?
The InChIKey is YEVRYVXXLRUQBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H55N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(24-8-5-2)25-9-6-3/h4-26H2,1-3H3/p+1.
What are the key properties of dibutyl(octadecyl)azanium?
dibutyl(octadecyl)azanium has a molecular weight of 382.74 g/mol, XLogP of 7.73, 23 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(octadecyl)azanium is sourced from PubChem (CID 18405855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).