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

C20H28N2 — CID 170339178

IUPAC2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine
SMILESCc1cccc(C(C)(C)CCc2ccc(C(C)(C)C)nc2)n1
InChIInChI=1S/C20H28N2/c1-15-8-7-9-18(22-15)20(5,6)13-12-16-10-11-17(21-14-16)19(2,3)4/h7-11,14H,12-13H2,1-6H3
InChIKeyWMXGLDBQQQGUHJ-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.99
Rot. Bonds4

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

2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine (PubChem CID 170339178) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine
PubChem CID170339178
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine
SMILESCc1cccc(C(C)(C)CCc2ccc(C(C)(C)C)nc2)n1
InChIInChI=1S/C20H28N2/c1-15-8-7-9-18(22-15)20(5,6)13-12-16-10-11-17(21-14-16)19(2,3)4/h7-11,14H,12-13H2,1-6H3
InChIKeyWMXGLDBQQQGUHJ-UHFFFAOYSA-N
XLogP4.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine?
The IUPAC name of 2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine (CID 170339178) is 2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine.
What is the SMILES notation for 2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine?
The canonical SMILES for 2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine is Cc1cccc(C(C)(C)CCc2ccc(C(C)(C)C)nc2)n1.
What is the InChIKey of 2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine?
The InChIKey is WMXGLDBQQQGUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-15-8-7-9-18(22-15)20(5,6)13-12-16-10-11-17(21-14-16)19(2,3)4/h7-11,14H,12-13H2,1-6H3.
What are the key properties of 2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine?
2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine has a molecular weight of 296.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine is sourced from PubChem (CID 170339178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).