2,2-ditert-butyl-4-methyl-1H-pyridine

C14H25N — CID 21253935

IUPAC2,2-ditert-butyl-4-methyl-1H-pyridine
SMILESCC1=CC(C(C)(C)C)(C(C)(C)C)NC=C1
InChIInChI=1S/C14H25N/c1-11-8-9-15-14(10-11,12(2,3)4)13(5,6)7/h8-10,15H,1-7H3
InChIKeyDIGMPAQQOLCYGV-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.88
Rot. Bonds

About 2,2-ditert-butyl-4-methyl-1H-pyridine

2,2-ditert-butyl-4-methyl-1H-pyridine (PubChem CID 21253935) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,2-ditert-butyl-4-methyl-1H-pyridine.

Molecular Properties

Compound Name2,2-ditert-butyl-4-methyl-1H-pyridine
PubChem CID21253935
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,2-ditert-butyl-4-methyl-1H-pyridine
SMILESCC1=CC(C(C)(C)C)(C(C)(C)C)NC=C1
InChIInChI=1S/C14H25N/c1-11-8-9-15-14(10-11,12(2,3)4)13(5,6)7/h8-10,15H,1-7H3
InChIKeyDIGMPAQQOLCYGV-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butyl-4-methyl-1H-pyridine?
The IUPAC name of 2,2-ditert-butyl-4-methyl-1H-pyridine (CID 21253935) is 2,2-ditert-butyl-4-methyl-1H-pyridine.
What is the SMILES notation for 2,2-ditert-butyl-4-methyl-1H-pyridine?
The canonical SMILES for 2,2-ditert-butyl-4-methyl-1H-pyridine is CC1=CC(C(C)(C)C)(C(C)(C)C)NC=C1.
What is the InChIKey of 2,2-ditert-butyl-4-methyl-1H-pyridine?
The InChIKey is DIGMPAQQOLCYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-11-8-9-15-14(10-11,12(2,3)4)13(5,6)7/h8-10,15H,1-7H3.
What are the key properties of 2,2-ditert-butyl-4-methyl-1H-pyridine?
2,2-ditert-butyl-4-methyl-1H-pyridine has a molecular weight of 207.36 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-4-methyl-1H-pyridine is sourced from PubChem (CID 21253935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).