5-tert-butyl-4-methyl-2-propan-2-yloxypyridine

C13H21NO — CID 176755382

IUPAC5-tert-butyl-4-methyl-2-propan-2-yloxypyridine
SMILESCc1cc(OC(C)C)ncc1C(C)(C)C
InChIInChI=1S/C13H21NO/c1-9(2)15-12-7-10(3)11(8-14-12)13(4,5)6/h7-9H,1-6H3
InChIKeyLLMPBRDSVIPSHT-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.47
Rot. Bonds2

About 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine

5-tert-butyl-4-methyl-2-propan-2-yloxypyridine (PubChem CID 176755382) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-2-propan-2-yloxypyridine
PubChem CID176755382
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-tert-butyl-4-methyl-2-propan-2-yloxypyridine
SMILESCc1cc(OC(C)C)ncc1C(C)(C)C
InChIInChI=1S/C13H21NO/c1-9(2)15-12-7-10(3)11(8-14-12)13(4,5)6/h7-9H,1-6H3
InChIKeyLLMPBRDSVIPSHT-UHFFFAOYSA-N
XLogP3.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-tert-butyl-3-propan-2-yloxypyridazine
CID 168743205
5-tert-butyl-2-ethyl-4-methylpyridine
CID 154974877
4-tert-butyl-2-methoxy-5-methylpyridine
CID 155218217
5-bromo-4-fluoro-2-propan-2-yloxypyridine
CID 167451222
5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
CID 114870646
6-but-3-yn-2-yloxy-4-methylpyridin-3-amine
CID 130497727
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300
7-propan-2-yloxy-3,4-dihydro-2,6-naphthyridine
CID 150998141
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 67256782
2-methoxy-4,6-di(propan-2-yloxy)pyrimidine
CID 86016297
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
methyl 5-bromo-2-propan-2-yloxypyridine-4-carboxylate
CID 86723769

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine?
The IUPAC name of 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine (CID 176755382) is 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine.
What is the SMILES notation for 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine?
The canonical SMILES for 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine is Cc1cc(OC(C)C)ncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine?
The InChIKey is LLMPBRDSVIPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)15-12-7-10(3)11(8-14-12)13(4,5)6/h7-9H,1-6H3.
What are the key properties of 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine?
5-tert-butyl-4-methyl-2-propan-2-yloxypyridine has a molecular weight of 207.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-2-propan-2-yloxypyridine is sourced from PubChem (CID 176755382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).