6-tert-butyl-2-ethyl-2,3-dihydropyridine

C11H19N — CID 89195170

IUPAC6-tert-butyl-2-ethyl-2,3-dihydropyridine
SMILESCCC1CC=CC(C(C)(C)C)=N1
InChIInChI=1S/C11H19N/c1-5-9-7-6-8-10(12-9)11(2,3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyGYVVPNISRITBGM-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds1

About 6-tert-butyl-2-ethyl-2,3-dihydropyridine

6-tert-butyl-2-ethyl-2,3-dihydropyridine (PubChem CID 89195170) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-2,3-dihydropyridine
PubChem CID89195170
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-tert-butyl-2-ethyl-2,3-dihydropyridine
SMILESCCC1CC=CC(C(C)(C)C)=N1
InChIInChI=1S/C11H19N/c1-5-9-7-6-8-10(12-9)11(2,3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyGYVVPNISRITBGM-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-2,3-dihydropyridine?
The IUPAC name of 6-tert-butyl-2-ethyl-2,3-dihydropyridine (CID 89195170) is 6-tert-butyl-2-ethyl-2,3-dihydropyridine.
What is the SMILES notation for 6-tert-butyl-2-ethyl-2,3-dihydropyridine?
The canonical SMILES for 6-tert-butyl-2-ethyl-2,3-dihydropyridine is CCC1CC=CC(C(C)(C)C)=N1.
What is the InChIKey of 6-tert-butyl-2-ethyl-2,3-dihydropyridine?
The InChIKey is GYVVPNISRITBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-9-7-6-8-10(12-9)11(2,3)4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 6-tert-butyl-2-ethyl-2,3-dihydropyridine?
6-tert-butyl-2-ethyl-2,3-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethyl-2,3-dihydropyridine is sourced from PubChem (CID 89195170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).