4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C19H36N2O2 — CID 156551085

IUPAC4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CC1)CN(C1CC(OC(C)(C)C)C1)CCO2
InChIInChI=1S/C19H36N2O2/c1-15(2)20-8-6-19(7-9-20)14-21(10-11-22-19)16-12-17(13-16)23-18(3,4)5/h15-17H,6-14H2,1-5H3
InChIKeyGFUILIVVQLCEIE-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.91
Rot. Bonds3

About 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 156551085) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID156551085
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CC1)CN(C1CC(OC(C)(C)C)C1)CCO2
InChIInChI=1S/C19H36N2O2/c1-15(2)20-8-6-19(7-9-20)14-21(10-11-22-19)16-12-17(13-16)23-18(3,4)5/h15-17H,6-14H2,1-5H3
InChIKeyGFUILIVVQLCEIE-UHFFFAOYSA-N
XLogP2.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 153320528
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane
CID 153320481
5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol
CID 136533552
tert-butyl 4-(oxan-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 169160969
ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
CID 158051450
4-[3-[9-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxyphthalic acid
CID 167041226
3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702508
(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane
CID 171748509
4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 66661332
(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine
CID 170255743
8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-4-ol
CID 165460008

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 156551085) is 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)N1CCC2(CC1)CN(C1CC(OC(C)(C)C)C1)CCO2.
What is the InChIKey of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is GFUILIVVQLCEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-15(2)20-8-6-19(7-9-20)14-21(10-11-22-19)16-12-17(13-16)23-18(3,4)5/h15-17H,6-14H2,1-5H3.
What are the key properties of 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 324.51 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 156551085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).