ethyl(tridecyl)azanium iodide

C15H34IN — CID 88651524

IUPACethyl(tridecyl)azanium iodide
SMILESCCCCCCCCCCCCC[NH2+]CC.[I-]
InChIInChI=1S/C15H33N.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-4-2;/h16H,3-15H2,1-2H3;1H
InChIKeyYJXRLNPDDSWCRV-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.88
Rot. Bonds13

About ethyl(tridecyl)azanium iodide

ethyl(tridecyl)azanium iodide (PubChem CID 88651524) has the molecular formula C15H34IN and a molecular weight of 355.35 g/mol. Its IUPAC name is ethyl(tridecyl)azanium iodide.

Molecular Properties

Compound Nameethyl(tridecyl)azanium iodide
PubChem CID88651524
Molecular FormulaC15H34IN
Molecular Weight355.35 g/mol
Exact Mass355.17
IUPAC Nameethyl(tridecyl)azanium iodide
SMILESCCCCCCCCCCCCC[NH2+]CC.[I-]
InChIInChI=1S/C15H33N.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-4-2;/h16H,3-15H2,1-2H3;1H
InChIKeyYJXRLNPDDSWCRV-UHFFFAOYSA-N
XLogP0.88
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethyl(tridecyl)azanium 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

didodecylazanium fluoride
CID 87135434
butyl(dodecyl)azanium
CID 91941247
butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966
dioctadecylazanium tetrafluoroborate
CID 140565722
ethyl(octadecyl)azanium;methoxy(octadecyl)phosphinate
CID 140738876
acetylene;heptane;hexane
CID 173326274
decyl-[6-(decylazaniumyl)hexyl]-dimethylazanium
CID 131700914
ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride
CID 10741171
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of ethyl(tridecyl)azanium iodide?
The IUPAC name of ethyl(tridecyl)azanium iodide (CID 88651524) is ethyl(tridecyl)azanium iodide.
What is the SMILES notation for ethyl(tridecyl)azanium iodide?
The canonical SMILES for ethyl(tridecyl)azanium iodide is CCCCCCCCCCCCC[NH2+]CC.[I-].
What is the InChIKey of ethyl(tridecyl)azanium iodide?
The InChIKey is YJXRLNPDDSWCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-4-2;/h16H,3-15H2,1-2H3;1H.
What are the key properties of ethyl(tridecyl)azanium iodide?
ethyl(tridecyl)azanium iodide has a molecular weight of 355.35 g/mol, XLogP of 0.88, 13 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(tridecyl)azanium iodide is sourced from PubChem (CID 88651524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).