3-tert-butyl-1-methyl-4-methylidenepyridine

C11H17N — CID 59831175

IUPAC3-tert-butyl-1-methyl-4-methylidenepyridine
SMILESC=C1C=CN(C)C=C1C(C)(C)C
InChIInChI=1S/C11H17N/c1-9-6-7-12(5)8-10(9)11(2,3)4/h6-8H,1H2,2-5H3
InChIKeyKXPUMMLVAYMYRS-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.93
Rot. Bonds

About 3-tert-butyl-1-methyl-4-methylidenepyridine

3-tert-butyl-1-methyl-4-methylidenepyridine (PubChem CID 59831175) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-4-methylidenepyridine.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-4-methylidenepyridine
PubChem CID59831175
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-tert-butyl-1-methyl-4-methylidenepyridine
SMILESC=C1C=CN(C)C=C1C(C)(C)C
InChIInChI=1S/C11H17N/c1-9-6-7-12(5)8-10(9)11(2,3)4/h6-8H,1H2,2-5H3
InChIKeyKXPUMMLVAYMYRS-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-1-methyl-4-methylidenepyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-4-methylidenepyridine?
The IUPAC name of 3-tert-butyl-1-methyl-4-methylidenepyridine (CID 59831175) is 3-tert-butyl-1-methyl-4-methylidenepyridine.
What is the SMILES notation for 3-tert-butyl-1-methyl-4-methylidenepyridine?
The canonical SMILES for 3-tert-butyl-1-methyl-4-methylidenepyridine is C=C1C=CN(C)C=C1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-methyl-4-methylidenepyridine?
The InChIKey is KXPUMMLVAYMYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9-6-7-12(5)8-10(9)11(2,3)4/h6-8H,1H2,2-5H3.
What are the key properties of 3-tert-butyl-1-methyl-4-methylidenepyridine?
3-tert-butyl-1-methyl-4-methylidenepyridine has a molecular weight of 163.26 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-4-methylidenepyridine is sourced from PubChem (CID 59831175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).