dihexyl-methyl-pentylazanium

C18H40N+ — CID 23534989

IUPACdihexyl-methyl-pentylazanium
SMILESCCCCCC[N+](C)(CCCCC)CCCCCC
InChIInChI=1S/C18H40N/c1-5-8-11-14-17-19(4,16-13-10-7-3)18-15-12-9-6-2/h5-18H2,1-4H3/q+1
InChIKeyFTVVXKZIBUTYNT-UHFFFAOYSA-N
MW270.52 g/mol
LogP5.78
Rot. Bonds14

About dihexyl-methyl-pentylazanium

dihexyl-methyl-pentylazanium (PubChem CID 23534989) has the molecular formula C18H40N+ and a molecular weight of 270.52 g/mol. Its IUPAC name is dihexyl-methyl-pentylazanium.

Molecular Properties

Compound Namedihexyl-methyl-pentylazanium
PubChem CID23534989
Molecular FormulaC18H40N+
Molecular Weight270.52 g/mol
Exact Mass270.32
IUPAC Namedihexyl-methyl-pentylazanium
SMILESCCCCCC[N+](C)(CCCCC)CCCCCC
InChIInChI=1S/C18H40N/c1-5-8-11-14-17-19(4,16-13-10-7-3)18-15-12-9-6-2/h5-18H2,1-4H3/q+1
InChIKeyFTVVXKZIBUTYNT-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.52
LogP ≤ 55.78
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'}

Analyze dihexyl-methyl-pentylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptadecyl-dihexadecyl-methylazanium
CID 174998798
decyl-heptyl-hexyl-methylazanium
CID 87904248
butyl-dodecyl-methyl-octylazanium
CID 71382086
methyl-tri(nonyl)azanium iodide
CID 88652767
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
triheptyl(methyl)azanium hydroxide
CID 87534234
trihexyl(methyl)azanium iodide
CID 87252050
azane;methyl-tri(tetradecyl)azanium
CID 172739350
methyl(trioctyl)azanium;hydrochloride
CID 174428259
methyl-tri(undecyl)azanium bromide
CID 15066122
azane;tridodecyl(methyl)azanium;hydrobromide
CID 175325392
methyl(trioctyl)azanium;chloride;hydrochloride
CID 172818491

Frequently Asked Questions

What is the IUPAC name of dihexyl-methyl-pentylazanium?
The IUPAC name of dihexyl-methyl-pentylazanium (CID 23534989) is dihexyl-methyl-pentylazanium.
What is the SMILES notation for dihexyl-methyl-pentylazanium?
The canonical SMILES for dihexyl-methyl-pentylazanium is CCCCCC[N+](C)(CCCCC)CCCCCC.
What is the InChIKey of dihexyl-methyl-pentylazanium?
The InChIKey is FTVVXKZIBUTYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N/c1-5-8-11-14-17-19(4,16-13-10-7-3)18-15-12-9-6-2/h5-18H2,1-4H3/q+1.
What are the key properties of dihexyl-methyl-pentylazanium?
dihexyl-methyl-pentylazanium has a molecular weight of 270.52 g/mol, XLogP of 5.78, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl-methyl-pentylazanium is sourced from PubChem (CID 23534989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).