6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine

C20H28N2 — CID 166718086

IUPAC6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine
SMILESCc1ccc(C(C)(C)Cc2ccc(C(C)(C)C)nc2C)nc1
InChIInChI=1S/C20H28N2/c1-14-8-10-18(21-13-14)20(6,7)12-16-9-11-17(19(3,4)5)22-15(16)2/h8-11,13H,12H2,1-7H3
InChIKeyFJRUJXFYEAWTSA-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.91
Rot. Bonds3

About 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine

6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine (PubChem CID 166718086) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine
PubChem CID166718086
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine
SMILESCc1ccc(C(C)(C)Cc2ccc(C(C)(C)C)nc2C)nc1
InChIInChI=1S/C20H28N2/c1-14-8-10-18(21-13-14)20(6,7)12-16-9-11-17(19(3,4)5)22-15(16)2/h8-11,13H,12H2,1-7H3
InChIKeyFJRUJXFYEAWTSA-UHFFFAOYSA-N
XLogP4.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine?
The IUPAC name of 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine (CID 166718086) is 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine.
What is the SMILES notation for 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine?
The canonical SMILES for 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine is Cc1ccc(C(C)(C)Cc2ccc(C(C)(C)C)nc2C)nc1.
What is the InChIKey of 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine?
The InChIKey is FJRUJXFYEAWTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-14-8-10-18(21-13-14)20(6,7)12-16-9-11-17(19(3,4)5)22-15(16)2/h8-11,13H,12H2,1-7H3.
What are the key properties of 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine?
6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine has a molecular weight of 296.46 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-3-[2-methyl-2-(5-methyl-2-pyridinyl)propyl]pyridine is sourced from PubChem (CID 166718086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).