4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium

C24H34N+ — CID 123759283

IUPAC4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium
SMILESCCCCc1cc[n+](C2(CC)CCC2(C)CC)c(-c2ccccc2)c1
InChIInChI=1S/C24H34N/c1-5-8-12-20-15-18-25(22(19-20)21-13-10-9-11-14-21)24(7-3)17-16-23(24,4)6-2/h9-11,13-15,18-19H,5-8,12,16-17H2,1-4H3/q+1
InChIKeyZLIVSPBCUMTUBH-UHFFFAOYSA-N
MW336.54 g/mol
LogP6.30
Rot. Bonds7

About 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium

4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium (PubChem CID 123759283) has the molecular formula C24H34N+ and a molecular weight of 336.54 g/mol. Its IUPAC name is 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium.

Molecular Properties

Compound Name4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium
PubChem CID123759283
Molecular FormulaC24H34N+
Molecular Weight336.54 g/mol
Exact Mass336.27
IUPAC Name4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium
SMILESCCCCc1cc[n+](C2(CC)CCC2(C)CC)c(-c2ccccc2)c1
InChIInChI=1S/C24H34N/c1-5-8-12-20-15-18-25(22(19-20)21-13-10-9-11-14-21)24(7-3)17-16-23(24,4)6-2/h9-11,13-15,18-19H,5-8,12,16-17H2,1-4H3/q+1
InChIKeyZLIVSPBCUMTUBH-UHFFFAOYSA-N
XLogP6.30
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium 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

2-butyl-6,6-diethyl-3'-phenylspiro[benzo[a]quinolizin-5-ium-7,6'-pyrido[2,1-a]isoindol-5-ium]
CID 156646962
2-butyl-6,6,7-triethyl-7,12,12-trimethylindeno[2,1-a]quinolizin-5-ium
CID 123514326
2-butyl-6,7-diethyl-7-[3-[2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)-4-phenylpyridin-1-ium-1-yl]propyl]-6-methylbenzo[a]quinolizin-5-ium
CID 123757910
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
5-butyl-10,12-diethyl-8,10,11,12-tetramethyl-13-azoniapentacyclo[9.7.1.02,7.08,19.013,18]nonadeca-1(19),2(7),3,5,13,15,17-heptaene
CID 123775962
1-butyl-4-phenylbenzene;ethane
CID 143743409
2-butyl-7,7-diethyl-6-methylidenebenzo[a]quinolizin-5-ium
CID 123556563
9-butyl-7-[1-[2-(2,5-dimethyl-4-phenylphenyl)pyridin-1-ium-1-yl]propan-2-yl]-6,7-diethyl-6-methylbenzo[a]quinolizin-5-ium
CID 123649214
2-octylazulene
CID 101406191
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039
butylbenzene;propylbenzene
CID 142022125

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium?
The IUPAC name of 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium (CID 123759283) is 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium.
What is the SMILES notation for 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium?
The canonical SMILES for 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium is CCCCc1cc[n+](C2(CC)CCC2(C)CC)c(-c2ccccc2)c1.
What is the InChIKey of 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium?
The InChIKey is ZLIVSPBCUMTUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N/c1-5-8-12-20-15-18-25(22(19-20)21-13-10-9-11-14-21)24(7-3)17-16-23(24,4)6-2/h9-11,13-15,18-19H,5-8,12,16-17H2,1-4H3/q+1.
What are the key properties of 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium?
4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium has a molecular weight of 336.54 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(1,2-diethyl-2-methylcyclobutyl)-2-phenylpyridin-1-ium is sourced from PubChem (CID 123759283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).