1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine

C18H32N2O — CID 79901179

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine
SMILESC1CCC2(CC1)CC(N1CCCC1C1CCCN1)CCO2
InChIInChI=1S/C18H32N2O/c1-2-9-18(10-3-1)14-15(8-13-21-18)20-12-5-7-17(20)16-6-4-11-19-16/h15-17,19H,1-14H2
InChIKeySNNPPBAMBMOGKZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.08
Rot. Bonds2

About 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine

1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 79901179) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID79901179
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine
SMILESC1CCC2(CC1)CC(N1CCCC1C1CCCN1)CCO2
InChIInChI=1S/C18H32N2O/c1-2-9-18(10-3-1)14-15(8-13-21-18)20-12-5-7-17(20)16-6-4-11-19-16/h15-17,19H,1-14H2
InChIKeySNNPPBAMBMOGKZ-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine
CID 79901180
(4aS,7aS)-6-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682694
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
2-pyrrolidin-2-yl-1-spiro[4.5]decan-8-ylpiperidine
CID 114818840
2-pyrrolidin-2-yl-1-spiro[3.5]nonan-3-ylpyrrolidine
CID 102952516
1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79904021
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338570
3-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919417
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
CID 62274739
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine (CID 79901179) is 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine is C1CCC2(CC1)CC(N1CCCC1C1CCCN1)CCO2.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is SNNPPBAMBMOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-9-18(10-3-1)14-15(8-13-21-18)20-12-5-7-17(20)16-6-4-11-19-16/h15-17,19H,1-14H2.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine?
1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 292.47 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 79901179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).