1,4-ditert-butyl-2H-pyridine

C13H23N — CID 66942442

IUPAC1,4-ditert-butyl-2H-pyridine
SMILESCC(C)(C)C1=CCN(C(C)(C)C)C=C1
InChIInChI=1S/C13H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7-9H,10H2,1-6H3
InChIKeyKVHFHMXNWIRFGS-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.59
Rot. Bonds

About 1,4-ditert-butyl-2H-pyridine

1,4-ditert-butyl-2H-pyridine (PubChem CID 66942442) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1,4-ditert-butyl-2H-pyridine.

Molecular Properties

Compound Name1,4-ditert-butyl-2H-pyridine
PubChem CID66942442
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1,4-ditert-butyl-2H-pyridine
SMILESCC(C)(C)C1=CCN(C(C)(C)C)C=C1
InChIInChI=1S/C13H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7-9H,10H2,1-6H3
InChIKeyKVHFHMXNWIRFGS-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine
CID 10878547
4,8,10a-trimethyl-10H-pyrido[1,2-a]azepine
CID 21597247
5-tert-butyl-6-fluoro-1-methyl-2H-pyridine
CID 91405121
5-Tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine
CID 134559782
1,3-Ditert-butyl-5-fluoro-2-methylidenepyridine
CID 170184385
(1Z)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
CID 12471621
1-Methyl-phenyl-tetrahydropyridin
CID 129628619
Decarboethoxy-dimethyl-ethyl-dihydropyridine
CID 129661731
1-Diethylaminostyrene
CID 129871574
5-Tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine
CID 159514576
2,4,8,10a-tetramethyl-10H-pyrido[1,2-a]azepine
CID 23242471
1,2-ditert-butyl-2H-pyridine
CID 19802094

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2H-pyridine?
The IUPAC name of 1,4-ditert-butyl-2H-pyridine (CID 66942442) is 1,4-ditert-butyl-2H-pyridine.
What is the SMILES notation for 1,4-ditert-butyl-2H-pyridine?
The canonical SMILES for 1,4-ditert-butyl-2H-pyridine is CC(C)(C)C1=CCN(C(C)(C)C)C=C1.
What is the InChIKey of 1,4-ditert-butyl-2H-pyridine?
The InChIKey is KVHFHMXNWIRFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7-9H,10H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-2H-pyridine?
1,4-ditert-butyl-2H-pyridine has a molecular weight of 193.33 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2H-pyridine is sourced from PubChem (CID 66942442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).