3-tert-butyl-5-(2-methylbutan-2-yl)pyridine

C14H23N — CID 130358152

IUPAC3-tert-butyl-5-(2-methylbutan-2-yl)pyridine
SMILESCCC(C)(C)c1cncc(C(C)(C)C)c1
InChIInChI=1S/C14H23N/c1-7-14(5,6)12-8-11(9-15-10-12)13(2,3)4/h8-10H,7H2,1-6H3
InChIKeySYMVAKHWUCOTQC-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.07
Rot. Bonds2

About 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine

3-tert-butyl-5-(2-methylbutan-2-yl)pyridine (PubChem CID 130358152) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-(2-methylbutan-2-yl)pyridine
PubChem CID130358152
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-tert-butyl-5-(2-methylbutan-2-yl)pyridine
SMILESCCC(C)(C)c1cncc(C(C)(C)C)c1
InChIInChI=1S/C14H23N/c1-7-14(5,6)12-8-11(9-15-10-12)13(2,3)4/h8-10H,7H2,1-6H3
InChIKeySYMVAKHWUCOTQC-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine?
The IUPAC name of 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine (CID 130358152) is 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine.
What is the SMILES notation for 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine?
The canonical SMILES for 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine is CCC(C)(C)c1cncc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine?
The InChIKey is SYMVAKHWUCOTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-7-14(5,6)12-8-11(9-15-10-12)13(2,3)4/h8-10H,7H2,1-6H3.
What are the key properties of 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine?
3-tert-butyl-5-(2-methylbutan-2-yl)pyridine has a molecular weight of 205.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2-methylbutan-2-yl)pyridine is sourced from PubChem (CID 130358152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).