3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine

C15H24N2 — CID 59085007

IUPAC3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine
SMILESCC(C)CCN1CCC[C@H]1Cc1cccnc1
InChIInChI=1S/C15H24N2/c1-13(2)7-10-17-9-4-6-15(17)11-14-5-3-8-16-12-14/h3,5,8,12-13,15H,4,6-7,9-11H2,1-2H3/t15-/m0/s1
InChIKeyZYBDTQHWOWBFDZ-HNNXBMFYSA-N
MW232.37 g/mol
LogP3.13
Rot. Bonds5

About 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine

3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine (PubChem CID 59085007) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine
PubChem CID59085007
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine
SMILESCC(C)CCN1CCC[C@H]1Cc1cccnc1
InChIInChI=1S/C15H24N2/c1-13(2)7-10-17-9-4-6-15(17)11-14-5-3-8-16-12-14/h3,5,8,12-13,15H,4,6-7,9-11H2,1-2H3/t15-/m0/s1
InChIKeyZYBDTQHWOWBFDZ-HNNXBMFYSA-N
XLogP3.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine?
The IUPAC name of 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine (CID 59085007) is 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine?
The canonical SMILES for 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine is CC(C)CCN1CCC[C@H]1Cc1cccnc1.
What is the InChIKey of 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine?
The InChIKey is ZYBDTQHWOWBFDZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(2)7-10-17-9-4-6-15(17)11-14-5-3-8-16-12-14/h3,5,8,12-13,15H,4,6-7,9-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine?
3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine has a molecular weight of 232.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]pyridine is sourced from PubChem (CID 59085007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).