3,4-ditert-butyl-3,4-dihydropyridine

C13H23N — CID 67128753

IUPAC3,4-ditert-butyl-3,4-dihydropyridine
SMILESCC(C)(C)C1C=CN=CC1C(C)(C)C
InChIInChI=1S/C13H23N/c1-12(2,3)10-7-8-14-9-11(10)13(4,5)6/h7-11H,1-6H3
InChIKeyPSWLLJUHEAAGTD-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.91
Rot. Bonds

About 3,4-ditert-butyl-3,4-dihydropyridine

3,4-ditert-butyl-3,4-dihydropyridine (PubChem CID 67128753) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3,4-ditert-butyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3,4-ditert-butyl-3,4-dihydropyridine
PubChem CID67128753
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3,4-ditert-butyl-3,4-dihydropyridine
SMILESCC(C)(C)C1C=CN=CC1C(C)(C)C
InChIInChI=1S/C13H23N/c1-12(2,3)10-7-8-14-9-11(10)13(4,5)6/h7-11H,1-6H3
InChIKeyPSWLLJUHEAAGTD-UHFFFAOYSA-N
XLogP3.91
TPSA12.36 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 ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-3,4-dihydropyridine?
The IUPAC name of 3,4-ditert-butyl-3,4-dihydropyridine (CID 67128753) is 3,4-ditert-butyl-3,4-dihydropyridine.
What is the SMILES notation for 3,4-ditert-butyl-3,4-dihydropyridine?
The canonical SMILES for 3,4-ditert-butyl-3,4-dihydropyridine is CC(C)(C)C1C=CN=CC1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-3,4-dihydropyridine?
The InChIKey is PSWLLJUHEAAGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2,3)10-7-8-14-9-11(10)13(4,5)6/h7-11H,1-6H3.
What are the key properties of 3,4-ditert-butyl-3,4-dihydropyridine?
3,4-ditert-butyl-3,4-dihydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-3,4-dihydropyridine is sourced from PubChem (CID 67128753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).