4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine

C18H27N — CID 57178325

IUPAC4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine
SMILESc1cc(CC(CC2CCCCC2)C2CCC2)ccn1
InChIInChI=1S/C18H27N/c1-2-5-15(6-3-1)13-18(17-7-4-8-17)14-16-9-11-19-12-10-16/h9-12,15,17-18H,1-8,13-14H2
InChIKeyVBGXGNLZBLBIOU-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.01
Rot. Bonds5

About 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine

4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine (PubChem CID 57178325) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine.

Molecular Properties

Compound Name4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine
PubChem CID57178325
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine
SMILESc1cc(CC(CC2CCCCC2)C2CCC2)ccn1
InChIInChI=1S/C18H27N/c1-2-5-15(6-3-1)13-18(17-7-4-8-17)14-16-9-11-19-12-10-16/h9-12,15,17-18H,1-8,13-14H2
InChIKeyVBGXGNLZBLBIOU-UHFFFAOYSA-N
XLogP5.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine?
The IUPAC name of 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine (CID 57178325) is 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine.
What is the SMILES notation for 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine?
The canonical SMILES for 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine is c1cc(CC(CC2CCCCC2)C2CCC2)ccn1.
What is the InChIKey of 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine?
The InChIKey is VBGXGNLZBLBIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-5-15(6-3-1)13-18(17-7-4-8-17)14-16-9-11-19-12-10-16/h9-12,15,17-18H,1-8,13-14H2.
What are the key properties of 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine?
4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine has a molecular weight of 257.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine is sourced from PubChem (CID 57178325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).