1-hydroxyicosan-2-yl(trimethyl)azanium

C23H50NO+ — CID 122612180

IUPAC1-hydroxyicosan-2-yl(trimethyl)azanium
SMILESCCCCCCCCCCCCCCCCCCC(CO)[N+](C)(C)C
InChIInChI=1S/C23H50NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-25)24(2,3)4/h23,25H,5-22H2,1-4H3/q+1
InChIKeyWSFZRBZUNOIRRJ-UHFFFAOYSA-N
MW356.66 g/mol
LogP6.71
Rot. Bonds19

About 1-hydroxyicosan-2-yl(trimethyl)azanium

1-hydroxyicosan-2-yl(trimethyl)azanium (PubChem CID 122612180) has the molecular formula C23H50NO+ and a molecular weight of 356.66 g/mol. Its IUPAC name is 1-hydroxyicosan-2-yl(trimethyl)azanium.

Molecular Properties

Compound Name1-hydroxyicosan-2-yl(trimethyl)azanium
PubChem CID122612180
Molecular FormulaC23H50NO+
Molecular Weight356.66 g/mol
Exact Mass356.39
IUPAC Name1-hydroxyicosan-2-yl(trimethyl)azanium
SMILESCCCCCCCCCCCCCCCCCCC(CO)[N+](C)(C)C
InChIInChI=1S/C23H50NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-25)24(2,3)4/h23,25H,5-22H2,1-4H3/q+1
InChIKeyWSFZRBZUNOIRRJ-UHFFFAOYSA-N
XLogP6.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.66
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
decan-5-yl(trimethyl)azanium
CID 71390285
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
trimethyl(nonan-5-yl)azanium
CID 14113823
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
hydroxy-dimethyl-tetradecan-3-ylazanium
CID 87744782
(1-chloro-2-hydroxypentadecan-4-yl)-trimethylazanium
CID 158970129
ethyl-dimethyl-octadecan-9-ylazanium
CID 21324513
2-hydroxyethyl-methyl-di(octadecan-3-yl)azanium
CID 22993215
1,3-dihydroxypropan-2-yl(trimethyl)azanium
CID 21129359
2-pentyltridecan-1-ol
CID 19896300

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyicosan-2-yl(trimethyl)azanium?
The IUPAC name of 1-hydroxyicosan-2-yl(trimethyl)azanium (CID 122612180) is 1-hydroxyicosan-2-yl(trimethyl)azanium.
What is the SMILES notation for 1-hydroxyicosan-2-yl(trimethyl)azanium?
The canonical SMILES for 1-hydroxyicosan-2-yl(trimethyl)azanium is CCCCCCCCCCCCCCCCCCC(CO)[N+](C)(C)C.
What is the InChIKey of 1-hydroxyicosan-2-yl(trimethyl)azanium?
The InChIKey is WSFZRBZUNOIRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-25)24(2,3)4/h23,25H,5-22H2,1-4H3/q+1.
What are the key properties of 1-hydroxyicosan-2-yl(trimethyl)azanium?
1-hydroxyicosan-2-yl(trimethyl)azanium has a molecular weight of 356.66 g/mol, XLogP of 6.71, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyicosan-2-yl(trimethyl)azanium is sourced from PubChem (CID 122612180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).