1-ethyl-2,3-di(propan-2-yl)-2H-pyridine

C13H23N — CID 89387783

IUPAC1-ethyl-2,3-di(propan-2-yl)-2H-pyridine
SMILESCCN1C=CC=C(C(C)C)C1C(C)C
InChIInChI=1S/C13H23N/c1-6-14-9-7-8-12(10(2)3)13(14)11(4)5/h7-11,13H,6H2,1-5H3
InChIKeyFCKTXWWOJBIRFG-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.44
Rot. Bonds3

About 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine

1-ethyl-2,3-di(propan-2-yl)-2H-pyridine (PubChem CID 89387783) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-2,3-di(propan-2-yl)-2H-pyridine
PubChem CID89387783
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-ethyl-2,3-di(propan-2-yl)-2H-pyridine
SMILESCCN1C=CC=C(C(C)C)C1C(C)C
InChIInChI=1S/C13H23N/c1-6-14-9-7-8-12(10(2)3)13(14)11(4)5/h7-11,13H,6H2,1-5H3
InChIKeyFCKTXWWOJBIRFG-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine?
The IUPAC name of 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine (CID 89387783) is 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine.
What is the SMILES notation for 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine?
The canonical SMILES for 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine is CCN1C=CC=C(C(C)C)C1C(C)C.
What is the InChIKey of 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine?
The InChIKey is FCKTXWWOJBIRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-6-14-9-7-8-12(10(2)3)13(14)11(4)5/h7-11,13H,6H2,1-5H3.
What are the key properties of 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine?
1-ethyl-2,3-di(propan-2-yl)-2H-pyridine has a molecular weight of 193.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-di(propan-2-yl)-2H-pyridine is sourced from PubChem (CID 89387783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).