diethyl-octyl-phenylazanium iodide

C18H32IN — CID 175060834

IUPACdiethyl-octyl-phenylazanium iodide
SMILESCCCCCCCC[N+](CC)(CC)c1ccccc1.[I-]
InChIInChI=1S/C18H32N.HI/c1-4-7-8-9-10-14-17-19(5-2,6-3)18-15-12-11-13-16-18;/h11-13,15-16H,4-10,14,17H2,1-3H3;1H/q+1;/p-1
InChIKeyVEZAWDXDQWVKSB-UHFFFAOYSA-M
MW389.37 g/mol
LogP2.40
Rot. Bonds10

About diethyl-octyl-phenylazanium iodide

diethyl-octyl-phenylazanium iodide (PubChem CID 175060834) has the molecular formula C18H32IN and a molecular weight of 389.37 g/mol. Its IUPAC name is diethyl-octyl-phenylazanium iodide.

Molecular Properties

Compound Namediethyl-octyl-phenylazanium iodide
PubChem CID175060834
Molecular FormulaC18H32IN
Molecular Weight389.37 g/mol
Exact Mass389.16
IUPAC Namediethyl-octyl-phenylazanium iodide
SMILESCCCCCCCC[N+](CC)(CC)c1ccccc1.[I-]
InChIInChI=1S/C18H32N.HI/c1-4-7-8-9-10-14-17-19(5-2,6-3)18-15-12-11-13-16-18;/h11-13,15-16H,4-10,14,17H2,1-3H3;1H/q+1;/p-1
InChIKeyVEZAWDXDQWVKSB-UHFFFAOYSA-M
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze diethyl-octyl-phenylazanium iodide 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

diethyl-hexadecyl-phenylazanium bromide
CID 163210930
diethyl-heptadecyl-phenylazanium
CID 163210934
diethyl-icosyl-phenylazanium bromide
CID 163210919
dodecyl-diethyl-phenylazanium chloride
CID 70521087
diethyl-phenyl-tetradecylazanium;dimethyl-phenyl-tetradecylazanium;dihydroxide
CID 21316097
dihexyl(diphenyl)azanium iodide
CID 69305411
decyl(triphenyl)azanium iodide
CID 69306188
triphenyl(tetradecyl)azanium iodide
CID 69306289
octadecyl(triphenyl)azanium bromide
CID 69305421
diheptyl(diphenyl)azanium iodide
CID 69308025
dioctyl(diphenyl)azanium bromide
CID 69327421
ethyl-octadecyl-diphenylazanium
CID 54523156

Frequently Asked Questions

What is the IUPAC name of diethyl-octyl-phenylazanium iodide?
The IUPAC name of diethyl-octyl-phenylazanium iodide (CID 175060834) is diethyl-octyl-phenylazanium iodide.
What is the SMILES notation for diethyl-octyl-phenylazanium iodide?
The canonical SMILES for diethyl-octyl-phenylazanium iodide is CCCCCCCC[N+](CC)(CC)c1ccccc1.[I-].
What is the InChIKey of diethyl-octyl-phenylazanium iodide?
The InChIKey is VEZAWDXDQWVKSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H32N.HI/c1-4-7-8-9-10-14-17-19(5-2,6-3)18-15-12-11-13-16-18;/h11-13,15-16H,4-10,14,17H2,1-3H3;1H/q+1;/p-1.
What are the key properties of diethyl-octyl-phenylazanium iodide?
diethyl-octyl-phenylazanium iodide has a molecular weight of 389.37 g/mol, XLogP of 2.40, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-octyl-phenylazanium iodide is sourced from PubChem (CID 175060834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).