hexyl-(2-hydroxyethyl)-methyl-pentylazanium

C14H32NO+ — CID 139954665

IUPAChexyl-(2-hydroxyethyl)-methyl-pentylazanium
SMILESCCCCCC[N+](C)(CCO)CCCCC
InChIInChI=1S/C14H32NO/c1-4-6-8-10-12-15(3,13-14-16)11-9-7-5-2/h16H,4-14H2,1-3H3/q+1
InChIKeyZBZRLEYWKBGGQN-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.20
Rot. Bonds11

About hexyl-(2-hydroxyethyl)-methyl-pentylazanium

hexyl-(2-hydroxyethyl)-methyl-pentylazanium (PubChem CID 139954665) has the molecular formula C14H32NO+ and a molecular weight of 230.42 g/mol. Its IUPAC name is hexyl-(2-hydroxyethyl)-methyl-pentylazanium.

Molecular Properties

Compound Namehexyl-(2-hydroxyethyl)-methyl-pentylazanium
PubChem CID139954665
Molecular FormulaC14H32NO+
Molecular Weight230.42 g/mol
Exact Mass230.25
IUPAC Namehexyl-(2-hydroxyethyl)-methyl-pentylazanium
SMILESCCCCCC[N+](C)(CCO)CCCCC
InChIInChI=1S/C14H32NO/c1-4-6-8-10-12-15(3,13-14-16)11-9-7-5-2/h16H,4-14H2,1-3H3/q+1
InChIKeyZBZRLEYWKBGGQN-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.20
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

bis(2-hydroxyethyl)-methyl-octadecylazanium hydroxide
CID 139772674
2-hydroxyethyl-methyl-dioctadecylazanium bromide
CID 14068061
ethyl-hexyl-(2-hydroxyethyl)-methylazanium
CID 150177845
4-hydroxybutyl-methyl-di(nonyl)azanium
CID 139956311
4-hydroxybutyl-methyl-dioctylazanium
CID 139954399
hexadecyl-[[hexadecyl-(2-hydroxyethyl)-methylazaniumyl]methyl]-(2-hydroxyethyl)-methylazanium dibromide
CID 139243664
4-hydroxybutyl-methyl-di(undecyl)azanium iodide
CID 139956497
3-hydroxypropyl-methyl-dioctylazanium iodide
CID 139954338
didecyl-(4-hydroxybutyl)-methylazanium bromide
CID 139956409
3-hydroxypropyl-methyl-di(nonyl)azanium chloride
CID 139956736
heptyl-hexyl-(4-hydroxybutyl)-methylazanium iodide
CID 139954163
4-hydroxybutyl-methyl-octyl-pentylazanium chloride
CID 139955755

Frequently Asked Questions

What is the IUPAC name of hexyl-(2-hydroxyethyl)-methyl-pentylazanium?
The IUPAC name of hexyl-(2-hydroxyethyl)-methyl-pentylazanium (CID 139954665) is hexyl-(2-hydroxyethyl)-methyl-pentylazanium.
What is the SMILES notation for hexyl-(2-hydroxyethyl)-methyl-pentylazanium?
The canonical SMILES for hexyl-(2-hydroxyethyl)-methyl-pentylazanium is CCCCCC[N+](C)(CCO)CCCCC.
What is the InChIKey of hexyl-(2-hydroxyethyl)-methyl-pentylazanium?
The InChIKey is ZBZRLEYWKBGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO/c1-4-6-8-10-12-15(3,13-14-16)11-9-7-5-2/h16H,4-14H2,1-3H3/q+1.
What are the key properties of hexyl-(2-hydroxyethyl)-methyl-pentylazanium?
hexyl-(2-hydroxyethyl)-methyl-pentylazanium has a molecular weight of 230.42 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-(2-hydroxyethyl)-methyl-pentylazanium is sourced from PubChem (CID 139954665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).