hexyl(trimethyl)azanium bromide

C9H22BrN — CID 10059492

IUPAChexyl(trimethyl)azanium bromide
SMILESCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C9H22N.BrH/c1-5-6-7-8-9-10(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyJYVPKRHOTGQJSE-UHFFFAOYSA-M
MW224.19 g/mol
LogP-0.72
Rot. Bonds5

About hexyl(trimethyl)azanium bromide

hexyl(trimethyl)azanium bromide (PubChem CID 10059492) has the molecular formula C9H22BrN and a molecular weight of 224.19 g/mol. Its IUPAC name is hexyl(trimethyl)azanium bromide.

Molecular Properties

Compound Namehexyl(trimethyl)azanium bromide
PubChem CID10059492
Molecular FormulaC9H22BrN
Molecular Weight224.19 g/mol
Exact Mass223.09
IUPAC Namehexyl(trimethyl)azanium bromide
SMILESCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C9H22N.BrH/c1-5-6-7-8-9-10(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyJYVPKRHOTGQJSE-UHFFFAOYSA-M
XLogP-0.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of hexyl(trimethyl)azanium bromide?
The IUPAC name of hexyl(trimethyl)azanium bromide (CID 10059492) is hexyl(trimethyl)azanium bromide.
What is the SMILES notation for hexyl(trimethyl)azanium bromide?
The canonical SMILES for hexyl(trimethyl)azanium bromide is CCCCCC[N+](C)(C)C.[Br-].
What is the InChIKey of hexyl(trimethyl)azanium bromide?
The InChIKey is JYVPKRHOTGQJSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22N.BrH/c1-5-6-7-8-9-10(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1.
What are the key properties of hexyl(trimethyl)azanium bromide?
hexyl(trimethyl)azanium bromide has a molecular weight of 224.19 g/mol, XLogP of -0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(trimethyl)azanium bromide is sourced from PubChem (CID 10059492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).