1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine

C13H25NO — CID 59522764

IUPAC1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)OC1=CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6/h7H,8-10H2,1-6H3
InChIKeyURIMCNMMIITNOY-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.19
Rot. Bonds1

About 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine

1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine (PubChem CID 59522764) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine
PubChem CID59522764
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)OC1=CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6/h7H,8-10H2,1-6H3
InChIKeyURIMCNMMIITNOY-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine (CID 59522764) is 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine is CC(C)(C)OC1=CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine?
The InChIKey is URIMCNMMIITNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6/h7H,8-10H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine?
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine has a molecular weight of 211.35 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 59522764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).