5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine

C11H19N — CID 167187178

IUPAC5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C(C)(C)C)CC1
InChIInChI=1S/C11H19N/c1-8-6-7-10(9(2)12-8)11(3,4)5/h6-7H2,1-5H3
InChIKeyHEKUGNJMBJGRMF-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.56
Rot. Bonds

About 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine

5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine (PubChem CID 167187178) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine
PubChem CID167187178
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C(C)(C)C)CC1
InChIInChI=1S/C11H19N/c1-8-6-7-10(9(2)12-8)11(3,4)5/h6-7H2,1-5H3
InChIKeyHEKUGNJMBJGRMF-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine?
The IUPAC name of 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine (CID 167187178) is 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine is CC1=NC(C)=C(C(C)(C)C)CC1.
What is the InChIKey of 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine?
The InChIKey is HEKUGNJMBJGRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8-6-7-10(9(2)12-8)11(3,4)5/h6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine?
5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,6-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 167187178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).