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

C15H24N2O — CID 67585202

IUPAC3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCCCC[C@H]1CCC(COc2cccnc2)N1C
InChIInChI=1S/C15H24N2O/c1-3-4-6-13-8-9-14(17(13)2)12-18-15-7-5-10-16-11-15/h5,7,10-11,13-14H,3-4,6,8-9,12H2,1-2H3/t13-,14?/m0/s1
InChIKeySRZUDRQGHVMIOU-LSLKUGRBSA-N
MW248.37 g/mol
LogP3.11
Rot. Bonds6

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

3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 67585202) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID67585202
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCCCC[C@H]1CCC(COc2cccnc2)N1C
InChIInChI=1S/C15H24N2O/c1-3-4-6-13-8-9-14(17(13)2)12-18-15-7-5-10-16-11-15/h5,7,10-11,13-14H,3-4,6,8-9,12H2,1-2H3/t13-,14?/m0/s1
InChIKeySRZUDRQGHVMIOU-LSLKUGRBSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 67585202) is 3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine is CCCC[C@H]1CCC(COc2cccnc2)N1C.
What is the InChIKey of 3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is SRZUDRQGHVMIOU-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-6-13-8-9-14(17(13)2)12-18-15-7-5-10-16-11-15/h5,7,10-11,13-14H,3-4,6,8-9,12H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of 3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine?
3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 248.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5S)-5-butyl-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 67585202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).