dibenzyl-ethyl-methylazanium

C17H22N+ — CID 87490135

IUPACdibenzyl-ethyl-methylazanium
SMILESCC[N+](C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H22N/c1-3-18(2,14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3/q+1
InChIKeyFVFWICRKDMTBSF-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.85
Rot. Bonds5

About dibenzyl-ethyl-methylazanium

dibenzyl-ethyl-methylazanium (PubChem CID 87490135) has the molecular formula C17H22N+ and a molecular weight of 240.37 g/mol. Its IUPAC name is dibenzyl-ethyl-methylazanium.

Molecular Properties

Compound Namedibenzyl-ethyl-methylazanium
PubChem CID87490135
Molecular FormulaC17H22N+
Molecular Weight240.37 g/mol
Exact Mass240.17
IUPAC Namedibenzyl-ethyl-methylazanium
SMILESCC[N+](C)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H22N/c1-3-18(2,14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3/q+1
InChIKeyFVFWICRKDMTBSF-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.85
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 dibenzyl-ethyl-methylazanium?
The IUPAC name of dibenzyl-ethyl-methylazanium (CID 87490135) is dibenzyl-ethyl-methylazanium.
What is the SMILES notation for dibenzyl-ethyl-methylazanium?
The canonical SMILES for dibenzyl-ethyl-methylazanium is CC[N+](C)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-ethyl-methylazanium?
The InChIKey is FVFWICRKDMTBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N/c1-3-18(2,14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3/q+1.
What are the key properties of dibenzyl-ethyl-methylazanium?
dibenzyl-ethyl-methylazanium has a molecular weight of 240.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-ethyl-methylazanium is sourced from PubChem (CID 87490135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).