2-hydroxyethyl-dimethyl-octadecanoylazanium

C22H46NO2+ — CID 21145645

IUPAC2-hydroxyethyl-dimethyl-octadecanoylazanium
SMILESCCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CCO
InChIInChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23(2,3)20-21-24/h24H,4-21H2,1-3H3/q+1
InChIKeyKZCTZFSCXTWTSA-UHFFFAOYSA-N
MW356.62 g/mol
LogP5.84
Rot. Bonds18

About 2-hydroxyethyl-dimethyl-octadecanoylazanium

2-hydroxyethyl-dimethyl-octadecanoylazanium (PubChem CID 21145645) has the molecular formula C22H46NO2+ and a molecular weight of 356.62 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-octadecanoylazanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-octadecanoylazanium
PubChem CID21145645
Molecular FormulaC22H46NO2+
Molecular Weight356.62 g/mol
Exact Mass356.35
IUPAC Name2-hydroxyethyl-dimethyl-octadecanoylazanium
SMILESCCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CCO
InChIInChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23(2,3)20-21-24/h24H,4-21H2,1-3H3/q+1
InChIKeyKZCTZFSCXTWTSA-UHFFFAOYSA-N
XLogP5.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl-dimethyl-tetradecanoylazanium chloride
CID 142704587
di(hexadecanoyl)-(2-hydroxyethyl)-tridecylazanium
CID 175475565
dimethyl-octadecanoyl-(3-sulfopropyl)azanium
CID 101150998
di(dodecanoyl)-dimethylazanium
CID 46207720
4-hydroxybutyl-methyl-di(octadecanoyl)azanium chloride
CID 141076964
ethyl-dimethyl-octadecanoylazanium;sulfuric acid
CID 174382530
2-hydroxyethyl(trimethyl)azanium;octanoic acid;chloride
CID 175564628
tributyl(tetradecanoyl)azanium
CID 14993044
azane;hexadecanoyl(tripropyl)azanium;chloride;dihydrochloride
CID 175548166
hexanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 163649131
2-hydroxyethyl-dimethyl-(octanoylamino)azanium
CID 15496013
tributyl(icosanoyl)azanium bromide
CID 88521917

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-octadecanoylazanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-octadecanoylazanium (CID 21145645) is 2-hydroxyethyl-dimethyl-octadecanoylazanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-octadecanoylazanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-octadecanoylazanium is CCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-octadecanoylazanium?
The InChIKey is KZCTZFSCXTWTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23(2,3)20-21-24/h24H,4-21H2,1-3H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-octadecanoylazanium?
2-hydroxyethyl-dimethyl-octadecanoylazanium has a molecular weight of 356.62 g/mol, XLogP of 5.84, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-octadecanoylazanium is sourced from PubChem (CID 21145645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).