hexyl-(2-methoxyethyl)-dimethylazanium bromide

C11H26BrNO — CID 86100927

IUPAChexyl-(2-methoxyethyl)-dimethylazanium bromide
SMILESCCCCCC[N+](C)(C)CCOC.[Br-]
InChIInChI=1S/C11H26NO.BrH/c1-5-6-7-8-9-12(2,3)10-11-13-4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKeyHQMFRDYFXNDMJV-UHFFFAOYSA-M
MW268.24 g/mol
LogP-0.71
Rot. Bonds8

About hexyl-(2-methoxyethyl)-dimethylazanium bromide

hexyl-(2-methoxyethyl)-dimethylazanium bromide (PubChem CID 86100927) has the molecular formula C11H26BrNO and a molecular weight of 268.24 g/mol. Its IUPAC name is hexyl-(2-methoxyethyl)-dimethylazanium bromide.

Molecular Properties

Compound Namehexyl-(2-methoxyethyl)-dimethylazanium bromide
PubChem CID86100927
Molecular FormulaC11H26BrNO
Molecular Weight268.24 g/mol
Exact Mass267.12
IUPAC Namehexyl-(2-methoxyethyl)-dimethylazanium bromide
SMILESCCCCCC[N+](C)(C)CCOC.[Br-]
InChIInChI=1S/C11H26NO.BrH/c1-5-6-7-8-9-12(2,3)10-11-13-4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKeyHQMFRDYFXNDMJV-UHFFFAOYSA-M
XLogP-0.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
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

hexyl-(2-methoxyethyl)-dimethylazanium
CID 86100928
docosyl-dimethyl-octylazanium bromide
CID 71367843
6-[dimethyl(octadecyl)azaniumyl]hexyl-hexyl-dimethylazanium dibromide
CID 175685910
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium dibromide
CID 154726412
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium dibromide
CID 12958279
azanium;dimethyl-di(tetradecyl)azanium;dibromide
CID 172853989
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819

Frequently Asked Questions

What is the IUPAC name of hexyl-(2-methoxyethyl)-dimethylazanium bromide?
The IUPAC name of hexyl-(2-methoxyethyl)-dimethylazanium bromide (CID 86100927) is hexyl-(2-methoxyethyl)-dimethylazanium bromide.
What is the SMILES notation for hexyl-(2-methoxyethyl)-dimethylazanium bromide?
The canonical SMILES for hexyl-(2-methoxyethyl)-dimethylazanium bromide is CCCCCC[N+](C)(C)CCOC.[Br-].
What is the InChIKey of hexyl-(2-methoxyethyl)-dimethylazanium bromide?
The InChIKey is HQMFRDYFXNDMJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26NO.BrH/c1-5-6-7-8-9-12(2,3)10-11-13-4;/h5-11H2,1-4H3;1H/q+1;/p-1.
What are the key properties of hexyl-(2-methoxyethyl)-dimethylazanium bromide?
hexyl-(2-methoxyethyl)-dimethylazanium bromide has a molecular weight of 268.24 g/mol, XLogP of -0.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-(2-methoxyethyl)-dimethylazanium bromide is sourced from PubChem (CID 86100927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).