2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine

C31H50N2 — CID 146230386

IUPAC2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine
SMILESCC(CCc1cc(C(C)(C)C)ccn1)C(C)CCC(C)(C)Cc1cccc(CC(C)(C)C)n1
InChIInChI=1S/C31H50N2/c1-23(14-15-26-20-25(17-19-32-26)30(6,7)8)24(2)16-18-31(9,10)22-28-13-11-12-27(33-28)21-29(3,4)5/h11-13,17,19-20,23-24H,14-16,18,21-22H2,1-10H3
InChIKeyNXIMVULHGGADHZ-UHFFFAOYSA-N
MW450.76 g/mol
LogP8.62
Rot. Bonds10

About 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine

2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine (PubChem CID 146230386) has the molecular formula C31H50N2 and a molecular weight of 450.76 g/mol. Its IUPAC name is 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine
PubChem CID146230386
Molecular FormulaC31H50N2
Molecular Weight450.76 g/mol
Exact Mass450.40
IUPAC Name2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine
SMILESCC(CCc1cc(C(C)(C)C)ccn1)C(C)CCC(C)(C)Cc1cccc(CC(C)(C)C)n1
InChIInChI=1S/C31H50N2/c1-23(14-15-26-20-25(17-19-32-26)30(6,7)8)24(2)16-18-31(9,10)22-28-13-11-12-27(33-28)21-29(3,4)5/h11-13,17,19-20,23-24H,14-16,18,21-22H2,1-10H3
InChIKeyNXIMVULHGGADHZ-UHFFFAOYSA-N
XLogP8.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.76
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine?
The IUPAC name of 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine (CID 146230386) is 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine is CC(CCc1cc(C(C)(C)C)ccn1)C(C)CCC(C)(C)Cc1cccc(CC(C)(C)C)n1.
What is the InChIKey of 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine?
The InChIKey is NXIMVULHGGADHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50N2/c1-23(14-15-26-20-25(17-19-32-26)30(6,7)8)24(2)16-18-31(9,10)22-28-13-11-12-27(33-28)21-29(3,4)5/h11-13,17,19-20,23-24H,14-16,18,21-22H2,1-10H3.
What are the key properties of 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine?
2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine has a molecular weight of 450.76 g/mol, XLogP of 8.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-tert-butyl-2-pyridinyl)-2,2,5,6-tetramethyloctyl]-6-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 146230386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).