2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol

C17H31NO2 — CID 79920933

IUPAC2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)C1CCOC2(CCCC2)C1)N1CCCC1
InChIInChI=1S/C17H31NO2/c1-16(2,18-10-5-6-11-18)15(19)14-7-12-20-17(13-14)8-3-4-9-17/h14-15,19H,3-13H2,1-2H3
InChIKeyRAOANTOWMJTQBU-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.96
Rot. Bonds3

About 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol

2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 79920933) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID79920933
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)C1CCOC2(CCCC2)C1)N1CCCC1
InChIInChI=1S/C17H31NO2/c1-16(2,18-10-5-6-11-18)15(19)14-7-12-20-17(13-14)8-3-4-9-17/h14-15,19H,3-13H2,1-2H3
InChIKeyRAOANTOWMJTQBU-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79906947
2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79921915
2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79921916
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79910779
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine
CID 79906978
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 82932578
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79906988
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol (CID 79920933) is 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol is CC(C)(C(O)C1CCOC2(CCCC2)C1)N1CCCC1.
What is the InChIKey of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is RAOANTOWMJTQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-16(2,18-10-5-6-11-18)15(19)14-7-12-20-17(13-14)8-3-4-9-17/h14-15,19H,3-13H2,1-2H3.
What are the key properties of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol?
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 281.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 79920933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).