benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium

C24H44NO+ — CID 14068053

IUPACbenzyl-(2-hydroxyethyl)-methyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(CCO)Cc1ccccc1
InChIInChI=1S/C24H44NO/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-25(2,21-22-26)23-24-18-15-14-16-19-24/h14-16,18-19,26H,3-13,17,20-23H2,1-2H3/q+1
InChIKeyBXJTWXJUYOEABN-UHFFFAOYSA-N
MW362.62 g/mol
LogP6.33
Rot. Bonds17

About benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium

benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium (PubChem CID 14068053) has the molecular formula C24H44NO+ and a molecular weight of 362.62 g/mol. Its IUPAC name is benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium.

Molecular Properties

Compound Namebenzyl-(2-hydroxyethyl)-methyl-tetradecylazanium
PubChem CID14068053
Molecular FormulaC24H44NO+
Molecular Weight362.62 g/mol
Exact Mass362.34
IUPAC Namebenzyl-(2-hydroxyethyl)-methyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(CCO)Cc1ccccc1
InChIInChI=1S/C24H44NO/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-25(2,21-22-26)23-24-18-15-14-16-19-24/h14-16,18-19,26H,3-13,17,20-23H2,1-2H3/q+1
InChIKeyBXJTWXJUYOEABN-UHFFFAOYSA-N
XLogP6.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.62
LogP ≤ 56.33
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

benzyl-methyl-octadecyl-propylazanium
CID 158066807
3-aminopropyl-benzyl-methyl-nonadecylazanium
CID 174609407
benzyl-dodecyl-ethyl-methylazanium chloride
CID 22311759
2-hydroxyethyl-[(4-methoxyphenyl)methyl]-methyl-tridecylazanium chloride
CID 139604133
benzyl-(2-decanoyloxyethyl)-(2-hydroxyethyl)-methylazanium
CID 151509953
benzyl-but-3-enyl-dodecyl-methylazanium chloride
CID 87157905
benzyl-dodecyl-dimethylazanium;ethanol;chloride
CID 87709845
hexyl-[[4-[4-[(hexyl-methyl-octylazaniumyl)methyl]phenyl]phenyl]methyl]-methyl-octylazanium
CID 139990602
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
benzyl-(4,4-dimethoxybutyl)-dodecyl-methylazanium chloride
CID 139647824
hexyl-(2-hydroxyethyl)-methyl-pentylazanium
CID 139954665

Frequently Asked Questions

What is the IUPAC name of benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium?
The IUPAC name of benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium (CID 14068053) is benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium.
What is the SMILES notation for benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium?
The canonical SMILES for benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(CCO)Cc1ccccc1.
What is the InChIKey of benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium?
The InChIKey is BXJTWXJUYOEABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44NO/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-25(2,21-22-26)23-24-18-15-14-16-19-24/h14-16,18-19,26H,3-13,17,20-23H2,1-2H3/q+1.
What are the key properties of benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium?
benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium has a molecular weight of 362.62 g/mol, XLogP of 6.33, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium is sourced from PubChem (CID 14068053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).