3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine

C20H27N — CID 19783351

IUPAC3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine
SMILESCCc1cnccc1C(C)CC(C)C(C)c1ccccc1
InChIInChI=1S/C20H27N/c1-5-18-14-21-12-11-20(18)16(3)13-15(2)17(4)19-9-7-6-8-10-19/h6-12,14-17H,5,13H2,1-4H3
InChIKeyVDFVXSCEILKXAB-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.58
Rot. Bonds6

About 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine

3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine (PubChem CID 19783351) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine.

Molecular Properties

Compound Name3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine
PubChem CID19783351
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine
SMILESCCc1cnccc1C(C)CC(C)C(C)c1ccccc1
InChIInChI=1S/C20H27N/c1-5-18-14-21-12-11-20(18)16(3)13-15(2)17(4)19-9-7-6-8-10-19/h6-12,14-17H,5,13H2,1-4H3
InChIKeyVDFVXSCEILKXAB-UHFFFAOYSA-N
XLogP5.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine?
The IUPAC name of 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine (CID 19783351) is 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine.
What is the SMILES notation for 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine?
The canonical SMILES for 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine is CCc1cnccc1C(C)CC(C)C(C)c1ccccc1.
What is the InChIKey of 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine?
The InChIKey is VDFVXSCEILKXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-18-14-21-12-11-20(18)16(3)13-15(2)17(4)19-9-7-6-8-10-19/h6-12,14-17H,5,13H2,1-4H3.
What are the key properties of 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine?
3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine has a molecular weight of 281.44 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine is sourced from PubChem (CID 19783351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).