2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine

C14H23N — CID 174197393

IUPAC2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine
SMILESCc1cc(C(C)C)c(C)c(C(C)(C)C)n1
InChIInChI=1S/C14H23N/c1-9(2)12-8-10(3)15-13(11(12)4)14(5,6)7/h8-9H,1-7H3
InChIKeyRGDXTTQFYCDQMA-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.12
Rot. Bonds1

About 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine

2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine (PubChem CID 174197393) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine
PubChem CID174197393
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine
SMILESCc1cc(C(C)C)c(C)c(C(C)(C)C)n1
InChIInChI=1S/C14H23N/c1-9(2)12-8-10(3)15-13(11(12)4)14(5,6)7/h8-9H,1-7H3
InChIKeyRGDXTTQFYCDQMA-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine?
The IUPAC name of 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine (CID 174197393) is 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine.
What is the SMILES notation for 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine?
The canonical SMILES for 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine is Cc1cc(C(C)C)c(C)c(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine?
The InChIKey is RGDXTTQFYCDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-9(2)12-8-10(3)15-13(11(12)4)14(5,6)7/h8-9H,1-7H3.
What are the key properties of 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine?
2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine has a molecular weight of 205.34 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,6-dimethyl-4-propan-2-ylpyridine is sourced from PubChem (CID 174197393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).