triethyl(hexadecyl)azanium iodide

C22H48IN — CID 18466277

IUPACtriethyl(hexadecyl)azanium iodide
SMILESCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C22H48N.HI/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyQFGWYYQGDCVPFQ-UHFFFAOYSA-M
MW453.54 g/mol
LogP4.35
Rot. Bonds18

About triethyl(hexadecyl)azanium iodide

triethyl(hexadecyl)azanium iodide (PubChem CID 18466277) has the molecular formula C22H48IN and a molecular weight of 453.54 g/mol. Its IUPAC name is triethyl(hexadecyl)azanium iodide.

Molecular Properties

Compound Nametriethyl(hexadecyl)azanium iodide
PubChem CID18466277
Molecular FormulaC22H48IN
Molecular Weight453.54 g/mol
Exact Mass453.28
IUPAC Nametriethyl(hexadecyl)azanium iodide
SMILESCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C22H48N.HI/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyQFGWYYQGDCVPFQ-UHFFFAOYSA-M
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.35
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'}

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Related Compounds

triethyl(tetradecyl)azanium iodide
CID 87777336
triethyl(tetradecyl)azanium
CID 28911
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(tetracosyl)azanium bromide
CID 153322859
triethyl(icosyl)azanium chloride
CID 141198165
triethyl(tridecyl)azanium bromide
CID 14647396
docosyl(triethyl)azanium bromide
CID 71358281
docosyl(triethyl)azanium chloride
CID 42638705
triethyl(octyl)azanium hydroxide
CID 23496315
azane;dodecyl(triethyl)azanium;hydrochloride
CID 174746836
didecyl-ethyl-octylazanium
CID 172694602
dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750

Frequently Asked Questions

What is the IUPAC name of triethyl(hexadecyl)azanium iodide?
The IUPAC name of triethyl(hexadecyl)azanium iodide (CID 18466277) is triethyl(hexadecyl)azanium iodide.
What is the SMILES notation for triethyl(hexadecyl)azanium iodide?
The canonical SMILES for triethyl(hexadecyl)azanium iodide is CCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[I-].
What is the InChIKey of triethyl(hexadecyl)azanium iodide?
The InChIKey is QFGWYYQGDCVPFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H48N.HI/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4;/h5-22H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(hexadecyl)azanium iodide?
triethyl(hexadecyl)azanium iodide has a molecular weight of 453.54 g/mol, XLogP of 4.35, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(hexadecyl)azanium iodide is sourced from PubChem (CID 18466277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).