4-tert-butyl-4-methyl-3H-pyridine

C10H17N — CID 126603088

IUPAC4-tert-butyl-4-methyl-3H-pyridine
SMILESCC(C)(C)C1(C)C=CN=CC1
InChIInChI=1S/C10H17N/c1-9(2,3)10(4)5-7-11-8-6-10/h5,7-8H,6H2,1-4H3
InChIKeyGPGAWAQZTANJSP-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds

About 4-tert-butyl-4-methyl-3H-pyridine

4-tert-butyl-4-methyl-3H-pyridine (PubChem CID 126603088) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-3H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-3H-pyridine
PubChem CID126603088
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-tert-butyl-4-methyl-3H-pyridine
SMILESCC(C)(C)C1(C)C=CN=CC1
InChIInChI=1S/C10H17N/c1-9(2,3)10(4)5-7-11-8-6-10/h5,7-8H,6H2,1-4H3
InChIKeyGPGAWAQZTANJSP-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-3H-pyridine?
The IUPAC name of 4-tert-butyl-4-methyl-3H-pyridine (CID 126603088) is 4-tert-butyl-4-methyl-3H-pyridine.
What is the SMILES notation for 4-tert-butyl-4-methyl-3H-pyridine?
The canonical SMILES for 4-tert-butyl-4-methyl-3H-pyridine is CC(C)(C)C1(C)C=CN=CC1.
What is the InChIKey of 4-tert-butyl-4-methyl-3H-pyridine?
The InChIKey is GPGAWAQZTANJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2,3)10(4)5-7-11-8-6-10/h5,7-8H,6H2,1-4H3.
What are the key properties of 4-tert-butyl-4-methyl-3H-pyridine?
4-tert-butyl-4-methyl-3H-pyridine has a molecular weight of 151.25 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-3H-pyridine is sourced from PubChem (CID 126603088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).