2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C14H21NO — CID 70928178

IUPAC2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCCC1Cc2cccnc2OC1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-5-10-9-11-7-6-8-15-13(11)16-12(10)14(2,3)4/h6-8,10,12H,5,9H2,1-4H3
InChIKeyTYPYBKSQTMXEMG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.46
Rot. Bonds1

About 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 70928178) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID70928178
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCCC1Cc2cccnc2OC1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-5-10-9-11-7-6-8-15-13(11)16-12(10)14(2,3)4/h6-8,10,12H,5,9H2,1-4H3
InChIKeyTYPYBKSQTMXEMG-UHFFFAOYSA-N
XLogP3.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 70928178) is 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is CCC1Cc2cccnc2OC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is TYPYBKSQTMXEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-10-9-11-7-6-8-15-13(11)16-12(10)14(2,3)4/h6-8,10,12H,5,9H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 219.33 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 70928178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).