3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine

C20H28N2 — CID 167168782

IUPAC3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine
SMILESCC(C)(C)Cc1cncc(CC(C)(C)Cc2ccncc2)c1
InChIInChI=1S/C20H28N2/c1-19(2,3)11-17-10-18(15-22-14-17)13-20(4,5)12-16-6-8-21-9-7-16/h6-10,14-15H,11-13H2,1-5H3
InChIKeyFVQUQSLFISCJLL-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.88
Rot. Bonds5

About 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine

3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine (PubChem CID 167168782) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine
PubChem CID167168782
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine
SMILESCC(C)(C)Cc1cncc(CC(C)(C)Cc2ccncc2)c1
InChIInChI=1S/C20H28N2/c1-19(2,3)11-17-10-18(15-22-14-17)13-20(4,5)12-16-6-8-21-9-7-16/h6-10,14-15H,11-13H2,1-5H3
InChIKeyFVQUQSLFISCJLL-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine?
The IUPAC name of 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine (CID 167168782) is 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine is CC(C)(C)Cc1cncc(CC(C)(C)Cc2ccncc2)c1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine?
The InChIKey is FVQUQSLFISCJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-19(2,3)11-17-10-18(15-22-14-17)13-20(4,5)12-16-6-8-21-9-7-16/h6-10,14-15H,11-13H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine?
3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine has a molecular weight of 296.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine is sourced from PubChem (CID 167168782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).