5-benzyl-2,3-diethylpyridine

C16H19N — CID 59158252

IUPAC5-benzyl-2,3-diethylpyridine
SMILESCCc1cc(Cc2ccccc2)cnc1CC
InChIInChI=1S/C16H19N/c1-3-15-11-14(12-17-16(15)4-2)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyNTGQJHMACIGATO-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.80
Rot. Bonds4

About 5-benzyl-2,3-diethylpyridine

5-benzyl-2,3-diethylpyridine (PubChem CID 59158252) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-benzyl-2,3-diethylpyridine.

Molecular Properties

Compound Name5-benzyl-2,3-diethylpyridine
PubChem CID59158252
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name5-benzyl-2,3-diethylpyridine
SMILESCCc1cc(Cc2ccccc2)cnc1CC
InChIInChI=1S/C16H19N/c1-3-15-11-14(12-17-16(15)4-2)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyNTGQJHMACIGATO-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,3-diethylpyridine?
The IUPAC name of 5-benzyl-2,3-diethylpyridine (CID 59158252) is 5-benzyl-2,3-diethylpyridine.
What is the SMILES notation for 5-benzyl-2,3-diethylpyridine?
The canonical SMILES for 5-benzyl-2,3-diethylpyridine is CCc1cc(Cc2ccccc2)cnc1CC.
What is the InChIKey of 5-benzyl-2,3-diethylpyridine?
The InChIKey is NTGQJHMACIGATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-15-11-14(12-17-16(15)4-2)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 5-benzyl-2,3-diethylpyridine?
5-benzyl-2,3-diethylpyridine has a molecular weight of 225.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,3-diethylpyridine is sourced from PubChem (CID 59158252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).