hydroxy-dimethyl-tetracosylazanium chloride

C26H56ClNO — CID 158718920

IUPAChydroxy-dimethyl-tetracosylazanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)O.[Cl-]
InChIInChI=1S/C26H56NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2,3)28;/h28H,4-26H2,1-3H3;1H/q+1;/p-1
InChIKeyLGKDIZAYZWMZLJ-UHFFFAOYSA-M
MW434.19 g/mol
LogP6.06
Rot. Bonds23

About hydroxy-dimethyl-tetracosylazanium chloride

hydroxy-dimethyl-tetracosylazanium chloride (PubChem CID 158718920) has the molecular formula C26H56ClNO and a molecular weight of 434.19 g/mol. Its IUPAC name is hydroxy-dimethyl-tetracosylazanium chloride.

Molecular Properties

Compound Namehydroxy-dimethyl-tetracosylazanium chloride
PubChem CID158718920
Molecular FormulaC26H56ClNO
Molecular Weight434.19 g/mol
Exact Mass433.41
IUPAC Namehydroxy-dimethyl-tetracosylazanium chloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)O.[Cl-]
InChIInChI=1S/C26H56NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2,3)28;/h28H,4-26H2,1-3H3;1H/q+1;/p-1
InChIKeyLGKDIZAYZWMZLJ-UHFFFAOYSA-M
XLogP6.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.19
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-dimethyl-octadecylazanium hydroxide
CID 139772700
didecyl-hydroxy-methylazanium chloride
CID 175336679
N,N-dimethylheptadecan-1-amine;heptadecyl-hydroxy-dimethylazanium;hydrogen peroxide
CID 160682136
hexadecyl-hydroxy-dioctadecylazanium
CID 19073496
hexyl-icosyl-dimethylazanium chloride
CID 141083999
trihydroxy(tetracosyl)azanium
CID 175938405
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
decyl-hexyl-dimethylazanium chloride
CID 19369138
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-tetracosylazanium chloride?
The IUPAC name of hydroxy-dimethyl-tetracosylazanium chloride (CID 158718920) is hydroxy-dimethyl-tetracosylazanium chloride.
What is the SMILES notation for hydroxy-dimethyl-tetracosylazanium chloride?
The canonical SMILES for hydroxy-dimethyl-tetracosylazanium chloride is CCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)O.[Cl-].
What is the InChIKey of hydroxy-dimethyl-tetracosylazanium chloride?
The InChIKey is LGKDIZAYZWMZLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H56NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2,3)28;/h28H,4-26H2,1-3H3;1H/q+1;/p-1.
What are the key properties of hydroxy-dimethyl-tetracosylazanium chloride?
hydroxy-dimethyl-tetracosylazanium chloride has a molecular weight of 434.19 g/mol, XLogP of 6.06, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-tetracosylazanium chloride is sourced from PubChem (CID 158718920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).