3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C15H24N2O — CID 10083372

IUPAC3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCCCCc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C15H24N2O/c1-3-4-6-13-9-15(11-16-10-13)18-12-14-7-5-8-17(14)2/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1
InChIKeyKJKJEMGOLPUHLS-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds6

About 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 10083372) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID10083372
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCCCCc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C15H24N2O/c1-3-4-6-13-9-15(11-16-10-13)18-12-14-7-5-8-17(14)2/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1
InChIKeyKJKJEMGOLPUHLS-AWEZNQCLSA-N
XLogP2.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 10083372) is 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is CCCCc1cncc(OC[C@@H]2CCCN2C)c1.
What is the InChIKey of 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is KJKJEMGOLPUHLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-6-13-9-15(11-16-10-13)18-12-14-7-5-8-17(14)2/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 248.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 10083372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).