3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine

C15H23NO — CID 166041310

IUPAC3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1ncccc1OCC1CCC1
InChIInChI=1S/C15H23NO/c1-15(2,3)10-13-14(8-5-9-16-13)17-11-12-6-4-7-12/h5,8-9,12H,4,6-7,10-11H2,1-3H3
InChIKeyIUJHQRNDGGRTGU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.85
Rot. Bonds4

About 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine

3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine (PubChem CID 166041310) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine
PubChem CID166041310
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1ncccc1OCC1CCC1
InChIInChI=1S/C15H23NO/c1-15(2,3)10-13-14(8-5-9-16-13)17-11-12-6-4-7-12/h5,8-9,12H,4,6-7,10-11H2,1-3H3
InChIKeyIUJHQRNDGGRTGU-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine?
The IUPAC name of 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine (CID 166041310) is 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine is CC(C)(C)Cc1ncccc1OCC1CCC1.
What is the InChIKey of 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine?
The InChIKey is IUJHQRNDGGRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)10-13-14(8-5-9-16-13)17-11-12-6-4-7-12/h5,8-9,12H,4,6-7,10-11H2,1-3H3.
What are the key properties of 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine?
3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine has a molecular weight of 233.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 166041310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).