3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine

C16H27N — CID 122695001

IUPAC3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine
SMILESCC(C)(C)c1cccnc1C(C)(C)C(C)(C)C
InChIInChI=1S/C16H27N/c1-14(2,3)12-10-9-11-17-13(12)16(7,8)15(4,5)6/h9-11H,1-8H3
InChIKeyOVLIDMNWOJPJEZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.70
Rot. Bonds1

About 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine

3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine (PubChem CID 122695001) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine
PubChem CID122695001
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine
SMILESCC(C)(C)c1cccnc1C(C)(C)C(C)(C)C
InChIInChI=1S/C16H27N/c1-14(2,3)12-10-9-11-17-13(12)16(7,8)15(4,5)6/h9-11H,1-8H3
InChIKeyOVLIDMNWOJPJEZ-UHFFFAOYSA-N
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3-tert-butyl-2-pyridinyl)boronic acid
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3-tert-butyl-1-oxidopyridin-1-ium;2,3-ditert-butylpyridine;propane
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8-tert-butyl-5-methyl-1,6-naphthyridine
CID 170078486
1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol
CID 159930912
2-(2-tert-butylphenyl)pyridine
CID 67807360
CID 70350897
CID 70350897
3-[2-(2,6-ditert-butylphenyl)phenyl]-2-[3-[2-(2,6-ditert-butylphenyl)phenyl]-2-pyridinyl]pyridine
CID 71076216

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine?
The IUPAC name of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine (CID 122695001) is 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine.
What is the SMILES notation for 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine?
The canonical SMILES for 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine is CC(C)(C)c1cccnc1C(C)(C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine?
The InChIKey is OVLIDMNWOJPJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-14(2,3)12-10-9-11-17-13(12)16(7,8)15(4,5)6/h9-11H,1-8H3.
What are the key properties of 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine?
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine has a molecular weight of 233.40 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine is sourced from PubChem (CID 122695001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).