ethyl-dihexyl-(2-methylpropyl)azanium

C18H40N+ — CID 87480234

IUPACethyl-dihexyl-(2-methylpropyl)azanium
SMILESCCCCCC[N+](CC)(CCCCCC)CC(C)C
InChIInChI=1S/C18H40N/c1-6-9-11-13-15-19(8-3,17-18(4)5)16-14-12-10-7-2/h18H,6-17H2,1-5H3/q+1
InChIKeyRHTZWWXKWSRFKW-UHFFFAOYSA-N
MW270.52 g/mol
LogP5.64
Rot. Bonds13

About ethyl-dihexyl-(2-methylpropyl)azanium

ethyl-dihexyl-(2-methylpropyl)azanium (PubChem CID 87480234) has the molecular formula C18H40N+ and a molecular weight of 270.52 g/mol. Its IUPAC name is ethyl-dihexyl-(2-methylpropyl)azanium.

Molecular Properties

Compound Nameethyl-dihexyl-(2-methylpropyl)azanium
PubChem CID87480234
Molecular FormulaC18H40N+
Molecular Weight270.52 g/mol
Exact Mass270.32
IUPAC Nameethyl-dihexyl-(2-methylpropyl)azanium
SMILESCCCCCC[N+](CC)(CCCCCC)CC(C)C
InChIInChI=1S/C18H40N/c1-6-9-11-13-15-19(8-3,17-18(4)5)16-14-12-10-7-2/h18H,6-17H2,1-5H3/q+1
InChIKeyRHTZWWXKWSRFKW-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.52
LogP ≤ 55.64
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

dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104
diethyl-di(icosyl)azanium
CID 14009114
triethyl(tetradecyl)azanium
CID 28911
didecyl-ethyl-octylazanium
CID 172694602
diethyl(dioctyl)azanium fluoride
CID 19602103
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetracosyl)azanium bromide
CID 153322859
diethyl-heptyl-octylazanium bromide
CID 88763250
didodecyl(diethyl)azanium hydroxide
CID 87834319
docosyl(triethyl)azanium bromide
CID 71358281

Frequently Asked Questions

What is the IUPAC name of ethyl-dihexyl-(2-methylpropyl)azanium?
The IUPAC name of ethyl-dihexyl-(2-methylpropyl)azanium (CID 87480234) is ethyl-dihexyl-(2-methylpropyl)azanium.
What is the SMILES notation for ethyl-dihexyl-(2-methylpropyl)azanium?
The canonical SMILES for ethyl-dihexyl-(2-methylpropyl)azanium is CCCCCC[N+](CC)(CCCCCC)CC(C)C.
What is the InChIKey of ethyl-dihexyl-(2-methylpropyl)azanium?
The InChIKey is RHTZWWXKWSRFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N/c1-6-9-11-13-15-19(8-3,17-18(4)5)16-14-12-10-7-2/h18H,6-17H2,1-5H3/q+1.
What are the key properties of ethyl-dihexyl-(2-methylpropyl)azanium?
ethyl-dihexyl-(2-methylpropyl)azanium has a molecular weight of 270.52 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dihexyl-(2-methylpropyl)azanium is sourced from PubChem (CID 87480234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).