ethyl-hexyl-(2-hydroxyethyl)-methylazanium

C11H26NO+ — CID 150177845

IUPACethyl-hexyl-(2-hydroxyethyl)-methylazanium
SMILESCCCCCC[N+](C)(CC)CCO
InChIInChI=1S/C11H26NO/c1-4-6-7-8-9-12(3,5-2)10-11-13/h13H,4-11H2,1-3H3/q+1
InChIKeyFKUCSRZBRURAGH-UHFFFAOYSA-N
MW188.33 g/mol
LogP2.03
Rot. Bonds8

About ethyl-hexyl-(2-hydroxyethyl)-methylazanium

ethyl-hexyl-(2-hydroxyethyl)-methylazanium (PubChem CID 150177845) has the molecular formula C11H26NO+ and a molecular weight of 188.33 g/mol. Its IUPAC name is ethyl-hexyl-(2-hydroxyethyl)-methylazanium.

Molecular Properties

Compound Nameethyl-hexyl-(2-hydroxyethyl)-methylazanium
PubChem CID150177845
Molecular FormulaC11H26NO+
Molecular Weight188.33 g/mol
Exact Mass188.20
IUPAC Nameethyl-hexyl-(2-hydroxyethyl)-methylazanium
SMILESCCCCCC[N+](C)(CC)CCO
InChIInChI=1S/C11H26NO/c1-4-6-7-8-9-12(3,5-2)10-11-13/h13H,4-11H2,1-3H3/q+1
InChIKeyFKUCSRZBRURAGH-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 52.03
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'}

Analyze ethyl-hexyl-(2-hydroxyethyl)-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexyl-(2-hydroxyethyl)-methyl-pentylazanium
CID 139954665
bis(2-hydroxyethyl)-methyl-octadecylazanium hydroxide
CID 139772674
2-hydroxyethyl-methyl-dioctadecylazanium bromide
CID 14068061
ethyl-methyl-di(undecyl)azanium
CID 156729684
hexadecyl-[[hexadecyl-(2-hydroxyethyl)-methylazaniumyl]methyl]-(2-hydroxyethyl)-methylazanium dibromide
CID 139243664
dodecyl-diethyl-methylazanium
CID 14494908
butyl-ethyl-methyl-pentylazanium
CID 87508333
4-hydroxybutyl-methyl-dioctylazanium
CID 139954399
dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
CID 87517181
4-hydroxybutyl-methyl-di(nonyl)azanium
CID 139956311
ethyl-(2-hydroxyethyl)-methyl-pentylazanium;methyl sulfate
CID 174657208
docosyl-diethyl-methylazanium chloride
CID 87975854

Frequently Asked Questions

What is the IUPAC name of ethyl-hexyl-(2-hydroxyethyl)-methylazanium?
The IUPAC name of ethyl-hexyl-(2-hydroxyethyl)-methylazanium (CID 150177845) is ethyl-hexyl-(2-hydroxyethyl)-methylazanium.
What is the SMILES notation for ethyl-hexyl-(2-hydroxyethyl)-methylazanium?
The canonical SMILES for ethyl-hexyl-(2-hydroxyethyl)-methylazanium is CCCCCC[N+](C)(CC)CCO.
What is the InChIKey of ethyl-hexyl-(2-hydroxyethyl)-methylazanium?
The InChIKey is FKUCSRZBRURAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO/c1-4-6-7-8-9-12(3,5-2)10-11-13/h13H,4-11H2,1-3H3/q+1.
What are the key properties of ethyl-hexyl-(2-hydroxyethyl)-methylazanium?
ethyl-hexyl-(2-hydroxyethyl)-methylazanium has a molecular weight of 188.33 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hexyl-(2-hydroxyethyl)-methylazanium is sourced from PubChem (CID 150177845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).