butyl-dodecyl-methyl-octylazanium

C25H54N+ — CID 71382086

IUPACbutyl-dodecyl-methyl-octylazanium
SMILESCCCCCCCCCCCC[N+](C)(CCCC)CCCCCCCC
InChIInChI=1S/C25H54N/c1-5-8-11-13-15-16-17-18-20-22-25-26(4,23-10-7-3)24-21-19-14-12-9-6-2/h5-25H2,1-4H3/q+1
InChIKeyIAHZAJLSGAHKBE-UHFFFAOYSA-N
MW368.71 g/mol
LogP8.51
Rot. Bonds21

About butyl-dodecyl-methyl-octylazanium

butyl-dodecyl-methyl-octylazanium (PubChem CID 71382086) has the molecular formula C25H54N+ and a molecular weight of 368.71 g/mol. Its IUPAC name is butyl-dodecyl-methyl-octylazanium.

Molecular Properties

Compound Namebutyl-dodecyl-methyl-octylazanium
PubChem CID71382086
Molecular FormulaC25H54N+
Molecular Weight368.71 g/mol
Exact Mass368.43
IUPAC Namebutyl-dodecyl-methyl-octylazanium
SMILESCCCCCCCCCCCC[N+](C)(CCCC)CCCCCCCC
InChIInChI=1S/C25H54N/c1-5-8-11-13-15-16-17-18-20-22-25-26(4,23-10-7-3)24-21-19-14-12-9-6-2/h5-25H2,1-4H3/q+1
InChIKeyIAHZAJLSGAHKBE-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 58.51
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 butyl-dodecyl-methyl-octylazanium 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
dibutyl-methyl-pentylazanium
CID 21452154
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
azane;methyl-tri(tetradecyl)azanium
CID 172739350
methyl-tri(nonyl)azanium iodide
CID 88652767
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
trihexyl(methyl)azanium iodide
CID 87252050
methyl(trioctyl)azanium;hydrochloride
CID 174428259
triheptyl(methyl)azanium hydroxide
CID 87534234
methyl-tri(undecyl)azanium bromide
CID 15066122
methyl(trioctyl)azanium;chloride;hydrochloride
CID 172818491

Frequently Asked Questions

What is the IUPAC name of butyl-dodecyl-methyl-octylazanium?
The IUPAC name of butyl-dodecyl-methyl-octylazanium (CID 71382086) is butyl-dodecyl-methyl-octylazanium.
What is the SMILES notation for butyl-dodecyl-methyl-octylazanium?
The canonical SMILES for butyl-dodecyl-methyl-octylazanium is CCCCCCCCCCCC[N+](C)(CCCC)CCCCCCCC.
What is the InChIKey of butyl-dodecyl-methyl-octylazanium?
The InChIKey is IAHZAJLSGAHKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N/c1-5-8-11-13-15-16-17-18-20-22-25-26(4,23-10-7-3)24-21-19-14-12-9-6-2/h5-25H2,1-4H3/q+1.
What are the key properties of butyl-dodecyl-methyl-octylazanium?
butyl-dodecyl-methyl-octylazanium has a molecular weight of 368.71 g/mol, XLogP of 8.51, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dodecyl-methyl-octylazanium is sourced from PubChem (CID 71382086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).