benzyl(trimethyl)azanium bromide

C10H16BrN — CID 21449

IUPACbenzyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)Cc1ccccc1.[Br-]
InChIInChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKeyUUZYBYIOAZTMGC-UHFFFAOYSA-M
MW230.15 g/mol
LogP-1.10
Rot. Bonds2

About benzyl(trimethyl)azanium bromide

benzyl(trimethyl)azanium bromide (PubChem CID 21449) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is benzyl(trimethyl)azanium bromide.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium bromide
PubChem CID21449
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Namebenzyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)Cc1ccccc1.[Br-]
InChIInChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKeyUUZYBYIOAZTMGC-UHFFFAOYSA-M
XLogP-1.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 5-1.10
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(trimethyl)azanium bromide?
The IUPAC name of benzyl(trimethyl)azanium bromide (CID 21449) is benzyl(trimethyl)azanium bromide.
What is the SMILES notation for benzyl(trimethyl)azanium bromide?
The canonical SMILES for benzyl(trimethyl)azanium bromide is C[N+](C)(C)Cc1ccccc1.[Br-].
What is the InChIKey of benzyl(trimethyl)azanium bromide?
The InChIKey is UUZYBYIOAZTMGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl(trimethyl)azanium bromide?
benzyl(trimethyl)azanium bromide has a molecular weight of 230.15 g/mol, XLogP of -1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium bromide is sourced from PubChem (CID 21449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).