2-bromoethyl-dibutyl-hexylazanium

C16H35BrN+ — CID 139954700

IUPAC2-bromoethyl-dibutyl-hexylazanium
SMILESCCCCCC[N+](CCBr)(CCCC)CCCC
InChIInChI=1S/C16H35BrN/c1-4-7-10-11-15-18(16-12-17,13-8-5-2)14-9-6-3/h4-16H2,1-3H3/q+1
InChIKeyYGOXQXYQIKPFFR-UHFFFAOYSA-N
MW321.37 g/mol
LogP5.38
Rot. Bonds13

About 2-bromoethyl-dibutyl-hexylazanium

2-bromoethyl-dibutyl-hexylazanium (PubChem CID 139954700) has the molecular formula C16H35BrN+ and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-bromoethyl-dibutyl-hexylazanium.

Molecular Properties

Compound Name2-bromoethyl-dibutyl-hexylazanium
PubChem CID139954700
Molecular FormulaC16H35BrN+
Molecular Weight321.37 g/mol
Exact Mass320.19
IUPAC Name2-bromoethyl-dibutyl-hexylazanium
SMILESCCCCCC[N+](CCBr)(CCCC)CCCC
InChIInChI=1S/C16H35BrN/c1-4-7-10-11-15-18(16-12-17,13-8-5-2)14-9-6-3/h4-16H2,1-3H3/q+1
InChIKeyYGOXQXYQIKPFFR-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.37
LogP ≤ 55.38
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-bromoethyl-butyl-hexyl-pentylazanium iodide
CID 139954831
2-bromoethyl-hexyl-dipentylazanium iodide
CID 139954921
2-bromoethyl-dihexyl-pentylazanium bromide
CID 139954982
2-bromoethyl(tripentyl)azanium iodide
CID 139955337
2-bromoethyl-diethyl-hexadecylazanium
CID 14625474
tributyl(triacontyl)azanium
CID 153322884
tributyl(hexadecyl)azanium
CID 3083031
dibutyl(diheptyl)azanium
CID 87534229
tributyl(heptyl)azanium
CID 5003685
bromomethyl-butyl-hexyl-pentylazanium
CID 139954516
3-bromopropyl-dihexyl-pentylazanium bromide
CID 139954535
tributyl(octacosyl)azanium bromide
CID 153322850

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl-dibutyl-hexylazanium?
The IUPAC name of 2-bromoethyl-dibutyl-hexylazanium (CID 139954700) is 2-bromoethyl-dibutyl-hexylazanium.
What is the SMILES notation for 2-bromoethyl-dibutyl-hexylazanium?
The canonical SMILES for 2-bromoethyl-dibutyl-hexylazanium is CCCCCC[N+](CCBr)(CCCC)CCCC.
What is the InChIKey of 2-bromoethyl-dibutyl-hexylazanium?
The InChIKey is YGOXQXYQIKPFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BrN/c1-4-7-10-11-15-18(16-12-17,13-8-5-2)14-9-6-3/h4-16H2,1-3H3/q+1.
What are the key properties of 2-bromoethyl-dibutyl-hexylazanium?
2-bromoethyl-dibutyl-hexylazanium has a molecular weight of 321.37 g/mol, XLogP of 5.38, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl-dibutyl-hexylazanium is sourced from PubChem (CID 139954700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).