5-tert-butyl-2-methylpyridine;ethane

C14H27N — CID 162055015

IUPAC5-tert-butyl-2-methylpyridine;ethane
SMILESCC.CC.Cc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C10H15N.2C2H6/c1-8-5-6-9(7-11-8)10(2,3)4;2*1-2/h5-7H,1-4H3;2*1-2H3
InChIKeyYZBFAJWBAQKRJU-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.74
Rot. Bonds

About 5-tert-butyl-2-methylpyridine;ethane

5-tert-butyl-2-methylpyridine;ethane (PubChem CID 162055015) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 5-tert-butyl-2-methylpyridine;ethane.

Molecular Properties

Compound Name5-tert-butyl-2-methylpyridine;ethane
PubChem CID162055015
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name5-tert-butyl-2-methylpyridine;ethane
SMILESCC.CC.Cc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C10H15N.2C2H6/c1-8-5-6-9(7-11-8)10(2,3)4;2*1-2/h5-7H,1-4H3;2*1-2H3
InChIKeyYZBFAJWBAQKRJU-UHFFFAOYSA-N
XLogP4.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylpyridine;ethane?
The IUPAC name of 5-tert-butyl-2-methylpyridine;ethane (CID 162055015) is 5-tert-butyl-2-methylpyridine;ethane.
What is the SMILES notation for 5-tert-butyl-2-methylpyridine;ethane?
The canonical SMILES for 5-tert-butyl-2-methylpyridine;ethane is CC.CC.Cc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-methylpyridine;ethane?
The InChIKey is YZBFAJWBAQKRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.2C2H6/c1-8-5-6-9(7-11-8)10(2,3)4;2*1-2/h5-7H,1-4H3;2*1-2H3.
What are the key properties of 5-tert-butyl-2-methylpyridine;ethane?
5-tert-butyl-2-methylpyridine;ethane has a molecular weight of 209.38 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylpyridine;ethane is sourced from PubChem (CID 162055015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).