benzyl(tributyl)azanium bromide

C19H34BrN — CID 2724282

IUPACbenzyl(tributyl)azanium bromide
SMILESCCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Br-]
InChIInChI=1S/C19H34N.BrH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
InChIKeyUDYGXWPMSJPFDG-UHFFFAOYSA-M
MW356.39 g/mol
LogP2.41
Rot. Bonds11

About benzyl(tributyl)azanium bromide

benzyl(tributyl)azanium bromide (PubChem CID 2724282) has the molecular formula C19H34BrN and a molecular weight of 356.39 g/mol. Its IUPAC name is benzyl(tributyl)azanium bromide.

Molecular Properties

Compound Namebenzyl(tributyl)azanium bromide
PubChem CID2724282
Molecular FormulaC19H34BrN
Molecular Weight356.39 g/mol
Exact Mass355.19
IUPAC Namebenzyl(tributyl)azanium bromide
SMILESCCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Br-]
InChIInChI=1S/C19H34N.BrH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
InChIKeyUDYGXWPMSJPFDG-UHFFFAOYSA-M
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl(tributyl)azanium bromide?
The IUPAC name of benzyl(tributyl)azanium bromide (CID 2724282) is benzyl(tributyl)azanium bromide.
What is the SMILES notation for benzyl(tributyl)azanium bromide?
The canonical SMILES for benzyl(tributyl)azanium bromide is CCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Br-].
What is the InChIKey of benzyl(tributyl)azanium bromide?
The InChIKey is UDYGXWPMSJPFDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H34N.BrH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl(tributyl)azanium bromide?
benzyl(tributyl)azanium bromide has a molecular weight of 356.39 g/mol, XLogP of 2.41, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(tributyl)azanium bromide is sourced from PubChem (CID 2724282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).