3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine

C18H33N — CID 134459014

IUPAC3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine
SMILESCCC(CC)CC1(C)C=NC(C(C)(CC)CC)=CC1
InChIInChI=1S/C18H33N/c1-7-15(8-2)13-17(5)12-11-16(19-14-17)18(6,9-3)10-4/h11,14-15H,7-10,12-13H2,1-6H3
InChIKeyXLHXUQXDBMLAHS-UHFFFAOYSA-N
MW263.47 g/mol
LogP6.00
Rot. Bonds7

About 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine

3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine (PubChem CID 134459014) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine.

Molecular Properties

Compound Name3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine
PubChem CID134459014
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine
SMILESCCC(CC)CC1(C)C=NC(C(C)(CC)CC)=CC1
InChIInChI=1S/C18H33N/c1-7-15(8-2)13-17(5)12-11-16(19-14-17)18(6,9-3)10-4/h11,14-15H,7-10,12-13H2,1-6H3
InChIKeyXLHXUQXDBMLAHS-UHFFFAOYSA-N
XLogP6.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine?
The IUPAC name of 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine (CID 134459014) is 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine.
What is the SMILES notation for 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine?
The canonical SMILES for 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine is CCC(CC)CC1(C)C=NC(C(C)(CC)CC)=CC1.
What is the InChIKey of 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine?
The InChIKey is XLHXUQXDBMLAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-7-15(8-2)13-17(5)12-11-16(19-14-17)18(6,9-3)10-4/h11,14-15H,7-10,12-13H2,1-6H3.
What are the key properties of 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine?
3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine has a molecular weight of 263.47 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine is sourced from PubChem (CID 134459014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).