4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine

C16H20N2 — CID 18346387

IUPAC4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine
SMILESCCC(CC(C)c1ccncc1)c1ccncc1
InChIInChI=1S/C16H20N2/c1-3-14(16-6-10-18-11-7-16)12-13(2)15-4-8-17-9-5-15/h4-11,13-14H,3,12H2,1-2H3
InChIKeyASFNGXFTAXFATB-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.16
Rot. Bonds5

About 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine

4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine (PubChem CID 18346387) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine.

Molecular Properties

Compound Name4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine
PubChem CID18346387
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine
SMILESCCC(CC(C)c1ccncc1)c1ccncc1
InChIInChI=1S/C16H20N2/c1-3-14(16-6-10-18-11-7-16)12-13(2)15-4-8-17-9-5-15/h4-11,13-14H,3,12H2,1-2H3
InChIKeyASFNGXFTAXFATB-UHFFFAOYSA-N
XLogP4.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine?
The IUPAC name of 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine (CID 18346387) is 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine.
What is the SMILES notation for 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine?
The canonical SMILES for 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine is CCC(CC(C)c1ccncc1)c1ccncc1.
What is the InChIKey of 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine?
The InChIKey is ASFNGXFTAXFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-14(16-6-10-18-11-7-16)12-13(2)15-4-8-17-9-5-15/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine?
4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine has a molecular weight of 240.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine is sourced from PubChem (CID 18346387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).