2-dodecoxyethyl(trimethyl)azanium iodide

C17H38INO — CID 14550628

IUPAC2-dodecoxyethyl(trimethyl)azanium iodide
SMILESCCCCCCCCCCCCOCC[N+](C)(C)C.[I-]
InChIInChI=1S/C17H38NO.HI/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyAPRFANRLFOHBIL-UHFFFAOYSA-M
MW399.40 g/mol
LogP1.63
Rot. Bonds14

About 2-dodecoxyethyl(trimethyl)azanium iodide

2-dodecoxyethyl(trimethyl)azanium iodide (PubChem CID 14550628) has the molecular formula C17H38INO and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-dodecoxyethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name2-dodecoxyethyl(trimethyl)azanium iodide
PubChem CID14550628
Molecular FormulaC17H38INO
Molecular Weight399.40 g/mol
Exact Mass399.20
IUPAC Name2-dodecoxyethyl(trimethyl)azanium iodide
SMILESCCCCCCCCCCCCOCC[N+](C)(C)C.[I-]
InChIInChI=1S/C17H38NO.HI/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyAPRFANRLFOHBIL-UHFFFAOYSA-M
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Stearoxypropyl dimethylamine
CID 87142
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CID 4360831
2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride
CID 24741721
Triethyl-[2-[12-[2-(triethylazaniumyl)ethoxy]dodecoxy]ethyl]azanium dibromide
CID 24741955
2,2'-((2-(Dodecyloxy)ethyl)imino)bis(ethanol)
CID 74429
4-(2-Decoxyethyl)-4-methylmorpholin-4-ium
CID 4462125
2-Hexadecoxyethyl-(2-hydroxyethyl)-dimethyl-ammonium
CID 452642
2-(Dodecyloxy)-N,N-dimethylethan-1-amine
CID 13668671
Laurylcholinchlorid
CID 22138573
Trimethyl(2-nonoxyethyl)azanium
CID 57136758
N,N,N-trimethyl-N-(3,6,9,12-tetraoxadocosyl)ammonium bromide
CID 85702821

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxyethyl(trimethyl)azanium iodide?
The IUPAC name of 2-dodecoxyethyl(trimethyl)azanium iodide (CID 14550628) is 2-dodecoxyethyl(trimethyl)azanium iodide.
What is the SMILES notation for 2-dodecoxyethyl(trimethyl)azanium iodide?
The canonical SMILES for 2-dodecoxyethyl(trimethyl)azanium iodide is CCCCCCCCCCCCOCC[N+](C)(C)C.[I-].
What is the InChIKey of 2-dodecoxyethyl(trimethyl)azanium iodide?
The InChIKey is APRFANRLFOHBIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38NO.HI/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-dodecoxyethyl(trimethyl)azanium iodide?
2-dodecoxyethyl(trimethyl)azanium iodide has a molecular weight of 399.40 g/mol, XLogP of 1.63, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyethyl(trimethyl)azanium iodide is sourced from PubChem (CID 14550628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).