(R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium

C23H36N2+2 — CID 124784628

IUPAC(R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium
SMILESCC[N+](C)(CC)CC[N@+](C)(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H36N2/c1-5-24(3,6-2)19-20-25(4,21-23-15-11-8-12-16-23)18-17-22-13-9-7-10-14-22/h7-16H,5-6,17-21H2,1-4H3/q+2/t25-/m0/s1
InChIKeyRJLFBBSBIUUXKI-VWLOTQADSA-N
MW340.56 g/mol
LogP4.36
Rot. Bonds10

About (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium

(R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium (PubChem CID 124784628) has the molecular formula C23H36N2+2 and a molecular weight of 340.56 g/mol. Its IUPAC name is (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium.

Molecular Properties

Compound Name(R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium
PubChem CID124784628
Molecular FormulaC23H36N2+2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name(R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium
SMILESCC[N+](C)(CC)CC[N@+](C)(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H36N2/c1-5-24(3,6-2)19-20-25(4,21-23-15-11-8-12-16-23)18-17-22-13-9-7-10-14-22/h7-16H,5-6,17-21H2,1-4H3/q+2/t25-/m0/s1
InChIKeyRJLFBBSBIUUXKI-VWLOTQADSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibenzyl-ethyl-methylazanium
CID 87490135
benzyl-dodecyl-ethyl-methylazanium chloride
CID 22311759
(E)-but-2-enedioate;bis(dibenzyl-methyl-(2-phenylethyl)azanium)
CID 175591945
benzyl-methyl-octadecyl-propylazanium
CID 158066807
dimethyl-(2-phenylethyl)-propylazanium
CID 102214830
benzyl-ethyl-dimethylazanium;methane
CID 169432077
2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium
CID 10826158
2-(N-benzylanilino)ethyl-diethyl-methylazanium iodide
CID 18528258
3-aminopropyl-benzyl-methyl-nonadecylazanium
CID 174609407
benzyl-(2-hydroxyethyl)-methyl-tetradecylazanium
CID 14068053
azane;benzyl-ethyl-dimethylazanium;chloride
CID 174615231
benzyl-ethyl-dimethylazanium;mercury;chloride
CID 174604450

Frequently Asked Questions

What is the IUPAC name of (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium?
The IUPAC name of (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium (CID 124784628) is (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium.
What is the SMILES notation for (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium?
The canonical SMILES for (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium is CC[N+](C)(CC)CC[N@+](C)(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium?
The InChIKey is RJLFBBSBIUUXKI-VWLOTQADSA-N. The full InChI is InChI=1S/C23H36N2/c1-5-24(3,6-2)19-20-25(4,21-23-15-11-8-12-16-23)18-17-22-13-9-7-10-14-22/h7-16H,5-6,17-21H2,1-4H3/q+2/t25-/m0/s1.
What are the key properties of (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium?
(R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium has a molecular weight of 340.56 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-benzyl-[2-[diethyl(methyl)azaniumyl]ethyl]-methyl-(2-phenylethyl)azanium is sourced from PubChem (CID 124784628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).