3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine

C20H28N2 — CID 101192388

IUPAC3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine
SMILESCc1ccc(C(C)(C)C)c(-c2nc(C)ccc2C(C)(C)C)n1
InChIInChI=1S/C20H28N2/c1-13-9-11-15(19(3,4)5)17(21-13)18-16(20(6,7)8)12-10-14(2)22-18/h9-12H,1-8H3
InChIKeyFOJCHMCXACYDHU-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.36
Rot. Bonds1

About 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine

3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine (PubChem CID 101192388) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine
PubChem CID101192388
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine
SMILESCc1ccc(C(C)(C)C)c(-c2nc(C)ccc2C(C)(C)C)n1
InChIInChI=1S/C20H28N2/c1-13-9-11-15(19(3,4)5)17(21-13)18-16(20(6,7)8)12-10-14(2)22-18/h9-12H,1-8H3
InChIKeyFOJCHMCXACYDHU-UHFFFAOYSA-N
XLogP5.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-2,6-dimethylpyridine
CID 58870278
2-bromo-3-tert-butyl-6-methylpyridine
CID 162468715
3-tert-butyl-N,N,6-trimethylpyridin-2-amine
CID 153310701
2-[(3-tert-butyl-6-methyl-2-pyridinyl)oxy]propane-2-thiol
CID 166941975
5-tert-butyl-2-methylquinolin-8-ol
CID 59538406
6,8-ditert-butyl-2-methylquinoline
CID 167019178
N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide
CID 167101395
5,8,15,18,25,28-hexatert-butyl-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 140917962
2-(2,6-dimethyl-3-pyridinyl)-N-methylpropan-2-amine
CID 89093756
1,2,4-tritert-butyl-3-methylbenzene
CID 140854295
2,3,4-tritert-butyl-6-methylpyridine
CID 21040110
2-methoxy-6-methyl-3-(trifluoromethyl)pyridine
CID 70661653

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine?
The IUPAC name of 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine (CID 101192388) is 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine.
What is the SMILES notation for 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine?
The canonical SMILES for 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine is Cc1ccc(C(C)(C)C)c(-c2nc(C)ccc2C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine?
The InChIKey is FOJCHMCXACYDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-13-9-11-15(19(3,4)5)17(21-13)18-16(20(6,7)8)12-10-14(2)22-18/h9-12H,1-8H3.
What are the key properties of 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine?
3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine has a molecular weight of 296.46 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine is sourced from PubChem (CID 101192388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).