2,4-ditert-butyl-1,2-dihydropyridine

C13H23N — CID 155147884

IUPAC2,4-ditert-butyl-1,2-dihydropyridine
SMILESCC(C)(C)C1=CC(C(C)(C)C)NC=C1
InChIInChI=1S/C13H23N/c1-12(2,3)10-7-8-14-11(9-10)13(4,5)6/h7-9,11,14H,1-6H3
InChIKeyIISPGVKZQWKHNP-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.49
Rot. Bonds

About 2,4-ditert-butyl-1,2-dihydropyridine

2,4-ditert-butyl-1,2-dihydropyridine (PubChem CID 155147884) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,4-ditert-butyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2,4-ditert-butyl-1,2-dihydropyridine
PubChem CID155147884
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,4-ditert-butyl-1,2-dihydropyridine
SMILESCC(C)(C)C1=CC(C(C)(C)C)NC=C1
InChIInChI=1S/C13H23N/c1-12(2,3)10-7-8-14-11(9-10)13(4,5)6/h7-9,11,14H,1-6H3
InChIKeyIISPGVKZQWKHNP-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1,2-dihydropyridine?
The IUPAC name of 2,4-ditert-butyl-1,2-dihydropyridine (CID 155147884) is 2,4-ditert-butyl-1,2-dihydropyridine.
What is the SMILES notation for 2,4-ditert-butyl-1,2-dihydropyridine?
The canonical SMILES for 2,4-ditert-butyl-1,2-dihydropyridine is CC(C)(C)C1=CC(C(C)(C)C)NC=C1.
What is the InChIKey of 2,4-ditert-butyl-1,2-dihydropyridine?
The InChIKey is IISPGVKZQWKHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2,3)10-7-8-14-11(9-10)13(4,5)6/h7-9,11,14H,1-6H3.
What are the key properties of 2,4-ditert-butyl-1,2-dihydropyridine?
2,4-ditert-butyl-1,2-dihydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1,2-dihydropyridine is sourced from PubChem (CID 155147884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).