2-tert-butyl-3-methyl-5-propan-2-ylpyridine

C13H21N — CID 134415008

IUPAC2-tert-butyl-3-methyl-5-propan-2-ylpyridine
SMILESCc1cc(C(C)C)cnc1C(C)(C)C
InChIInChI=1S/C13H21N/c1-9(2)11-7-10(3)12(14-8-11)13(4,5)6/h7-9H,1-6H3
InChIKeyZRCALLAILPDPFL-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.81
Rot. Bonds1

About 2-tert-butyl-3-methyl-5-propan-2-ylpyridine

2-tert-butyl-3-methyl-5-propan-2-ylpyridine (PubChem CID 134415008) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-5-propan-2-ylpyridine
PubChem CID134415008
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-tert-butyl-3-methyl-5-propan-2-ylpyridine
SMILESCc1cc(C(C)C)cnc1C(C)(C)C
InChIInChI=1S/C13H21N/c1-9(2)11-7-10(3)12(14-8-11)13(4,5)6/h7-9H,1-6H3
InChIKeyZRCALLAILPDPFL-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-5-propan-2-ylpyridine?
The IUPAC name of 2-tert-butyl-3-methyl-5-propan-2-ylpyridine (CID 134415008) is 2-tert-butyl-3-methyl-5-propan-2-ylpyridine.
What is the SMILES notation for 2-tert-butyl-3-methyl-5-propan-2-ylpyridine?
The canonical SMILES for 2-tert-butyl-3-methyl-5-propan-2-ylpyridine is Cc1cc(C(C)C)cnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyl-5-propan-2-ylpyridine?
The InChIKey is ZRCALLAILPDPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)11-7-10(3)12(14-8-11)13(4,5)6/h7-9H,1-6H3.
What are the key properties of 2-tert-butyl-3-methyl-5-propan-2-ylpyridine?
2-tert-butyl-3-methyl-5-propan-2-ylpyridine has a molecular weight of 191.32 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-5-propan-2-ylpyridine is sourced from PubChem (CID 134415008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).