4-hydroxybutyl-methyl-di(nonyl)azanium

C23H50NO+ — CID 139956311

IUPAC4-hydroxybutyl-methyl-di(nonyl)azanium
SMILESCCCCCCCCC[N+](C)(CCCCO)CCCCCCCCC
InChIInChI=1S/C23H50NO/c1-4-6-8-10-12-14-16-20-24(3,22-18-19-23-25)21-17-15-13-11-9-7-5-2/h25H,4-23H2,1-3H3/q+1
InChIKeyRRPATIQSHKFBAF-UHFFFAOYSA-N
MW356.66 g/mol
LogP6.71
Rot. Bonds20

About 4-hydroxybutyl-methyl-di(nonyl)azanium

4-hydroxybutyl-methyl-di(nonyl)azanium (PubChem CID 139956311) has the molecular formula C23H50NO+ and a molecular weight of 356.66 g/mol. Its IUPAC name is 4-hydroxybutyl-methyl-di(nonyl)azanium.

Molecular Properties

Compound Name4-hydroxybutyl-methyl-di(nonyl)azanium
PubChem CID139956311
Molecular FormulaC23H50NO+
Molecular Weight356.66 g/mol
Exact Mass356.39
IUPAC Name4-hydroxybutyl-methyl-di(nonyl)azanium
SMILESCCCCCCCCC[N+](C)(CCCCO)CCCCCCCCC
InChIInChI=1S/C23H50NO/c1-4-6-8-10-12-14-16-20-24(3,22-18-19-23-25)21-17-15-13-11-9-7-5-2/h25H,4-23H2,1-3H3/q+1
InChIKeyRRPATIQSHKFBAF-UHFFFAOYSA-N
XLogP6.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
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

4-hydroxybutyl-methyl-dioctylazanium
CID 139954399
4-hydroxybutyl-methyl-di(undecyl)azanium iodide
CID 139956497
4-hydroxybutyl-methyl-octyl-pentylazanium chloride
CID 139955755
didecyl-(4-hydroxybutyl)-methylazanium bromide
CID 139956409
heptyl-hexyl-(4-hydroxybutyl)-methylazanium iodide
CID 139954163
3-hydroxypropyl-methyl-di(nonyl)azanium chloride
CID 139956736
3-hydroxypropyl-methyl-dioctylazanium iodide
CID 139954338
hexyl-(2-hydroxyethyl)-methyl-pentylazanium
CID 139954665
bis(2-hydroxyethyl)-methyl-octadecylazanium hydroxide
CID 139772674
2-hydroxyethyl-methyl-dioctadecylazanium bromide
CID 14068061
decyl-heptyl-hexyl-methylazanium
CID 87904248
heptadecyl-dihexadecyl-methylazanium
CID 174998798

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl-methyl-di(nonyl)azanium?
The IUPAC name of 4-hydroxybutyl-methyl-di(nonyl)azanium (CID 139956311) is 4-hydroxybutyl-methyl-di(nonyl)azanium.
What is the SMILES notation for 4-hydroxybutyl-methyl-di(nonyl)azanium?
The canonical SMILES for 4-hydroxybutyl-methyl-di(nonyl)azanium is CCCCCCCCC[N+](C)(CCCCO)CCCCCCCCC.
What is the InChIKey of 4-hydroxybutyl-methyl-di(nonyl)azanium?
The InChIKey is RRPATIQSHKFBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50NO/c1-4-6-8-10-12-14-16-20-24(3,22-18-19-23-25)21-17-15-13-11-9-7-5-2/h25H,4-23H2,1-3H3/q+1.
What are the key properties of 4-hydroxybutyl-methyl-di(nonyl)azanium?
4-hydroxybutyl-methyl-di(nonyl)azanium has a molecular weight of 356.66 g/mol, XLogP of 6.71, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl-methyl-di(nonyl)azanium is sourced from PubChem (CID 139956311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).