2,6-ditert-butyl-4-methyl-2,3-dihydropyridine

C14H25N — CID 91145020

IUPAC2,6-ditert-butyl-4-methyl-2,3-dihydropyridine
SMILESCC1=CC(C(C)(C)C)=NC(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8,12H,9H2,1-7H3
InChIKeyQWGMERBPHZQOSB-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.24
Rot. Bonds

About 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine

2,6-ditert-butyl-4-methyl-2,3-dihydropyridine (PubChem CID 91145020) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methyl-2,3-dihydropyridine
PubChem CID91145020
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,6-ditert-butyl-4-methyl-2,3-dihydropyridine
SMILESCC1=CC(C(C)(C)C)=NC(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8,12H,9H2,1-7H3
InChIKeyQWGMERBPHZQOSB-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine
CID 141295656
N,2,5,5-tetramethylcyclohex-2-en-1-imine
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CID 238062
N-cyclohexyl-6-methylhept-5-en-2-imine
CID 11009116
2,4,6-Trimethyl-2,3-dihydropyridine
CID 53631314
3,5-ditert-butyl-2H-pyrrole
CID 58139020
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CID 58164648
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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine?
The IUPAC name of 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine (CID 91145020) is 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine?
The canonical SMILES for 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine is CC1=CC(C(C)(C)C)=NC(C(C)(C)C)C1.
What is the InChIKey of 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine?
The InChIKey is QWGMERBPHZQOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8,12H,9H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine?
2,6-ditert-butyl-4-methyl-2,3-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methyl-2,3-dihydropyridine is sourced from PubChem (CID 91145020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).