bromomethyl-dibutyl-hexylazanium iodide

C15H33BrIN — CID 139955138

IUPACbromomethyl-dibutyl-hexylazanium iodide
SMILESCCCCCC[N+](CBr)(CCCC)CCCC.[I-]
InChIInChI=1S/C15H33BrN.HI/c1-4-7-10-11-14-17(15-16,12-8-5-2)13-9-6-3;/h4-15H2,1-3H3;1H/q+1;/p-1
InChIKeyLODMSBOPUZENEF-UHFFFAOYSA-M
MW434.24 g/mol
LogP2.34
Rot. Bonds12

About bromomethyl-dibutyl-hexylazanium iodide

bromomethyl-dibutyl-hexylazanium iodide (PubChem CID 139955138) has the molecular formula C15H33BrIN and a molecular weight of 434.24 g/mol. Its IUPAC name is bromomethyl-dibutyl-hexylazanium iodide.

Molecular Properties

Compound Namebromomethyl-dibutyl-hexylazanium iodide
PubChem CID139955138
Molecular FormulaC15H33BrIN
Molecular Weight434.24 g/mol
Exact Mass433.08
IUPAC Namebromomethyl-dibutyl-hexylazanium iodide
SMILESCCCCCC[N+](CBr)(CCCC)CCCC.[I-]
InChIInChI=1S/C15H33BrN.HI/c1-4-7-10-11-14-17(15-16,12-8-5-2)13-9-6-3;/h4-15H2,1-3H3;1H/q+1;/p-1
InChIKeyLODMSBOPUZENEF-UHFFFAOYSA-M
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bromomethyl-butyl-hexyl-pentylazanium
CID 139954516
bromomethyl-dibutyl-pentylazanium bromide
CID 139955693
bromomethyl(tripentyl)azanium chloride
CID 139955651
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
2-bromoethyl-butyl-hexyl-pentylazanium iodide
CID 139954831
tributyl(hexadecyl)azanium
CID 3083031
trioctyl(tetradecyl)azanium iodide
CID 87778484
dibutyl(diheptyl)azanium
CID 87534229
tributyl(heptyl)azanium
CID 5003685
triheptyl(nonyl)azanium iodide
CID 87778959
di(nonyl)-dipentylazanium iodide
CID 87777668
diheptyl-di(tetradecyl)azanium iodide
CID 87778887

Frequently Asked Questions

What is the IUPAC name of bromomethyl-dibutyl-hexylazanium iodide?
The IUPAC name of bromomethyl-dibutyl-hexylazanium iodide (CID 139955138) is bromomethyl-dibutyl-hexylazanium iodide.
What is the SMILES notation for bromomethyl-dibutyl-hexylazanium iodide?
The canonical SMILES for bromomethyl-dibutyl-hexylazanium iodide is CCCCCC[N+](CBr)(CCCC)CCCC.[I-].
What is the InChIKey of bromomethyl-dibutyl-hexylazanium iodide?
The InChIKey is LODMSBOPUZENEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H33BrN.HI/c1-4-7-10-11-14-17(15-16,12-8-5-2)13-9-6-3;/h4-15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of bromomethyl-dibutyl-hexylazanium iodide?
bromomethyl-dibutyl-hexylazanium iodide has a molecular weight of 434.24 g/mol, XLogP of 2.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dibutyl-hexylazanium iodide is sourced from PubChem (CID 139955138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).