4-butyl-2,6-di(docosyl)pyridine

C53H101N — CID 91143668

IUPAC4-butyl-2,6-di(docosyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCCCCCc1cc(CCCC)cc(CCCCCCCCCCCCCCCCCCCCCC)n1
InChIInChI=1S/C53H101N/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-52-49-51(46-9-6-3)50-53(54-52)48-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h49-50H,4-48H2,1-3H3
InChIKeyICPPUQCINUKLGC-UHFFFAOYSA-N
MW752.40 g/mol
LogP19.15
Rot. Bonds45

About 4-butyl-2,6-di(docosyl)pyridine

4-butyl-2,6-di(docosyl)pyridine (PubChem CID 91143668) has the molecular formula C53H101N and a molecular weight of 752.40 g/mol. Its IUPAC name is 4-butyl-2,6-di(docosyl)pyridine.

Molecular Properties

Compound Name4-butyl-2,6-di(docosyl)pyridine
PubChem CID91143668
Molecular FormulaC53H101N
Molecular Weight752.40 g/mol
Exact Mass751.79
IUPAC Name4-butyl-2,6-di(docosyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCCCCCc1cc(CCCC)cc(CCCCCCCCCCCCCCCCCCCCCC)n1
InChIInChI=1S/C53H101N/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-52-49-51(46-9-6-3)50-53(54-52)48-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h49-50H,4-48H2,1-3H3
InChIKeyICPPUQCINUKLGC-UHFFFAOYSA-N
XLogP19.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds45
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.40
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-diheptyl-4-propylpyridine
CID 91426264
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
4-methyl-2,6-dioctylpyridine
CID 66935754
2-butyl-4,6-dihexylpyrimidine
CID 91010912
2-butyl-4,6-didodecylpyrimidine
CID 91545608
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4,6-didodecyl-2-methylpyrimidine
CID 66935955
4,6-di(octacosyl)-2-propylpyrimidine
CID 91419921
4,6-dihexadecylpyrimidine
CID 91309058
2,6-didodecylpyridine
CID 90943274
(3,5-dihexylphenyl)methanamine
CID 174558763
4,6-di(pentadecyl)pyrimidine
CID 91242686

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,6-di(docosyl)pyridine?
The IUPAC name of 4-butyl-2,6-di(docosyl)pyridine (CID 91143668) is 4-butyl-2,6-di(docosyl)pyridine.
What is the SMILES notation for 4-butyl-2,6-di(docosyl)pyridine?
The canonical SMILES for 4-butyl-2,6-di(docosyl)pyridine is CCCCCCCCCCCCCCCCCCCCCCc1cc(CCCC)cc(CCCCCCCCCCCCCCCCCCCCCC)n1.
What is the InChIKey of 4-butyl-2,6-di(docosyl)pyridine?
The InChIKey is ICPPUQCINUKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H101N/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-52-49-51(46-9-6-3)50-53(54-52)48-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h49-50H,4-48H2,1-3H3.
What are the key properties of 4-butyl-2,6-di(docosyl)pyridine?
4-butyl-2,6-di(docosyl)pyridine has a molecular weight of 752.40 g/mol, XLogP of 19.15, 45 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,6-di(docosyl)pyridine is sourced from PubChem (CID 91143668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).