5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine

C17H29NO2 — CID 139545732

IUPAC5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
SMILESCC(c1ccc(OCCOC(C)(C)C)nc1)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-13(16(2,3)4)14-8-9-15(18-12-14)19-10-11-20-17(5,6)7/h8-9,12-13H,10-11H2,1-7H3
InChIKeyYSFABLMNUJWNPC-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.43
Rot. Bonds5

About 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine

5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine (PubChem CID 139545732) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
PubChem CID139545732
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
SMILESCC(c1ccc(OCCOC(C)(C)C)nc1)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-13(16(2,3)4)14-8-9-15(18-12-14)19-10-11-20-17(5,6)7/h8-9,12-13H,10-11H2,1-7H3
InChIKeyYSFABLMNUJWNPC-UHFFFAOYSA-N
XLogP4.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine 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

1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol
CID 15067080
5-(3,3-dimethylbutan-2-yl)-2-methylpyridine
CID 59623693
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939561
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 144787153
4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
CID 112591702
5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane
CID 169257531
N-ethyl-1-[6-(3-methoxy-3-methylbutoxy)-3-pyridinyl]ethanamine
CID 106665931
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91625401
2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine
CID 58923251
(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine
CID 106202300
N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587927

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine (CID 139545732) is 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The canonical SMILES for 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine is CC(c1ccc(OCCOC(C)(C)C)nc1)C(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The InChIKey is YSFABLMNUJWNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(16(2,3)4)14-8-9-15(18-12-14)19-10-11-20-17(5,6)7/h8-9,12-13H,10-11H2,1-7H3.
What are the key properties of 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine has a molecular weight of 279.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine is sourced from PubChem (CID 139545732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).