3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine

C23H31NO2 — CID 15234861

IUPAC3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine
SMILESc1cncc(COC2CCC3(CCC(CCc4ccoc4)CC3)CC2)c1
InChIInChI=1S/C23H31NO2/c1-2-21(16-24-14-1)18-26-22-7-12-23(13-8-22)10-5-19(6-11-23)3-4-20-9-15-25-17-20/h1-2,9,14-17,19,22H,3-8,10-13,18H2
InChIKeyQAODQEPJHJJPAW-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.94
Rot. Bonds6

About 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine

3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine (PubChem CID 15234861) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine
PubChem CID15234861
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine
SMILESc1cncc(COC2CCC3(CCC(CCc4ccoc4)CC3)CC2)c1
InChIInChI=1S/C23H31NO2/c1-2-21(16-24-14-1)18-26-22-7-12-23(13-8-22)10-5-19(6-11-23)3-4-20-9-15-25-17-20/h1-2,9,14-17,19,22H,3-8,10-13,18H2
InChIKeyQAODQEPJHJJPAW-UHFFFAOYSA-N
XLogP5.94
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-1-amine
CID 15234840
1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol
CID 15234834
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
3-(2-cyclobutylethyl)pyridine
CID 57204476
[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol
CID 15234849
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
CID 171909488
(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97384253
(3aR,6aS)-4-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97378577
3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 72908403
4-(furan-3-ylmethyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
CID 45163898
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
3-(furan-3-ylmethoxy)pyridine
CID 112558860

Frequently Asked Questions

What is the IUPAC name of 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine (CID 15234861) is 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine is c1cncc(COC2CCC3(CCC(CCc4ccoc4)CC3)CC2)c1.
What is the InChIKey of 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine?
The InChIKey is QAODQEPJHJJPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-2-21(16-24-14-1)18-26-22-7-12-23(13-8-22)10-5-19(6-11-23)3-4-20-9-15-25-17-20/h1-2,9,14-17,19,22H,3-8,10-13,18H2.
What are the key properties of 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine?
3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine has a molecular weight of 353.51 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 15234861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).