1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine

C191H372N12O27 — CID 159025305

IUPAC1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine
SMILESC.CC(C)(C)C1CC2(C1)CN(C(=O)COCCCOC1CN(C(C)(C)C)C1)C2.CC(C)(C)OC1CC(OCCCOCCCC2CN(C(C)(C)C)C2)C1.CC(C)(C)OC1CC(OCCCOCCCN2CC(OC(C)(C)C)C2)C1.CC(C)(C)OC1CC2(C1)CN(CCCOCCCCOC1CN(C(C)(C)C)C1)C2.CC(C)(C)OCCCCOCCCCN1CC2(CC(OC(C)(C)C)C2)C1.CC(C)(C)OCCCCOCCCCOC1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)OCCCOCCCC1CN(C(C)(C)C)C1.CC(C)(C)OCCCOCCCN1CC(OC(C)(C)C)C1.CN(C1CC(OC(C)(C)C)C1)C1CC2(C1)CN(C(=O)CCCCOC(C)(C)C)C2
InChIInChI=1S/C24H44N2O3.C24H46N2O3.C22H40N2O3.2C22H43NO3.C21H41NO4.C21H41NO3.C17H35NO3.C17H35NO2.CH4/c1-22(2,3)28-11-9-8-10-21(27)26-16-24(17-26)14-19(15-24)25(7)18-12-20(13-18)29-23(4,5)6;1-22(2,3)26-16-21(17-26)28-13-8-7-11-27-12-9-10-25-18-24(19-25)14-20(15-24)29-23(4,5)6;1-20(2,3)17-10-22(11-17)15-23(16-22)19(25)14-26-8-7-9-27-18-12-24(13-18)21(4,5)6;1-20(2,3)23-17-22(18-23)15-19(16-22)25-13-9-7-11-24-12-8-10-14-26-21(4,5)6;1-20(2,3)25-14-10-9-13-24-12-8-7-11-23-17-22(18-23)15-19(16-22)26-21(4,5)6;1-20(2,3)25-18-13-17(14-18)24-12-8-11-23-10-7-9-22-15-19(16-22)26-21(4,5)6;1-20(2,3)22-15-17(16-22)9-7-10-23-11-8-12-24-18-13-19(14-18)25-21(4,5)6;1-16(2,3)20-12-8-11-19-10-7-9-18-13-15(14-18)21-17(4,5)6;1-16(2,3)18-13-15(14-18)9-7-10-19-11-8-12-20-17(4,5)6;/h18-20H,8-17H2,1-7H3;20-21H,7-19H2,1-6H3;17-18H,7-16H2,1-6H3;2*19H,7-18H2,1-6H3;17-19H,7-16H2,1-6H3;17-19H,7-16H2,1-6H3;15H,7-14H2,1-6H3;15H,7-14H2,1-6H3;1H4
InChIKeyJUFBKMXNKAPAHF-UHFFFAOYSA-N
MW3269.13 g/mol
LogP36.05
Rot. Bonds86

About 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine

1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine (PubChem CID 159025305) has the molecular formula C191H372N12O27 and a molecular weight of 3269.13 g/mol. Its IUPAC name is 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine.

Molecular Properties

Compound Name1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine
PubChem CID159025305
Molecular FormulaC191H372N12O27
Molecular Weight3269.13 g/mol
Exact Mass3266.81
IUPAC Name1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine
SMILESC.CC(C)(C)C1CC2(C1)CN(C(=O)COCCCOC1CN(C(C)(C)C)C1)C2.CC(C)(C)OC1CC(OCCCOCCCC2CN(C(C)(C)C)C2)C1.CC(C)(C)OC1CC(OCCCOCCCN2CC(OC(C)(C)C)C2)C1.CC(C)(C)OC1CC2(C1)CN(CCCOCCCCOC1CN(C(C)(C)C)C1)C2.CC(C)(C)OCCCCOCCCCN1CC2(CC(OC(C)(C)C)C2)C1.CC(C)(C)OCCCCOCCCCOC1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)OCCCOCCCC1CN(C(C)(C)C)C1.CC(C)(C)OCCCOCCCN1CC(OC(C)(C)C)C1.CN(C1CC(OC(C)(C)C)C1)C1CC2(C1)CN(C(=O)CCCCOC(C)(C)C)C2
InChIInChI=1S/C24H44N2O3.C24H46N2O3.C22H40N2O3.2C22H43NO3.C21H41NO4.C21H41NO3.C17H35NO3.C17H35NO2.CH4/c1-22(2,3)28-11-9-8-10-21(27)26-16-24(17-26)14-19(15-24)25(7)18-12-20(13-18)29-23(4,5)6;1-22(2,3)26-16-21(17-26)28-13-8-7-11-27-12-9-10-25-18-24(19-25)14-20(15-24)29-23(4,5)6;1-20(2,3)17-10-22(11-17)15-23(16-22)19(25)14-26-8-7-9-27-18-12-24(13-18)21(4,5)6;1-20(2,3)23-17-22(18-23)15-19(16-22)25-13-9-7-11-24-12-8-10-14-26-21(4,5)6;1-20(2,3)25-14-10-9-13-24-12-8-7-11-23-17-22(18-23)15-19(16-22)26-21(4,5)6;1-20(2,3)25-18-13-17(14-18)24-12-8-11-23-10-7-9-22-15-19(16-22)26-21(4,5)6;1-20(2,3)22-15-17(16-22)9-7-10-23-11-8-12-24-18-13-19(14-18)25-21(4,5)6;1-16(2,3)20-12-8-11-19-10-7-9-18-13-15(14-18)21-17(4,5)6;1-16(2,3)18-13-15(14-18)9-7-10-19-11-8-12-20-17(4,5)6;/h18-20H,8-17H2,1-7H3;20-21H,7-19H2,1-6H3;17-18H,7-16H2,1-6H3;2*19H,7-18H2,1-6H3;17-19H,7-16H2,1-6H3;17-19H,7-16H2,1-6H3;15H,7-14H2,1-6H3;15H,7-14H2,1-6H3;1H4
InChIKeyJUFBKMXNKAPAHF-UHFFFAOYSA-N
XLogP36.05
TPSA303.77 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds86
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003269.13
LogP ≤ 536.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine?
The IUPAC name of 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine (CID 159025305) is 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine.
What is the SMILES notation for 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine?
The canonical SMILES for 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine is C.CC(C)(C)C1CC2(C1)CN(C(=O)COCCCOC1CN(C(C)(C)C)C1)C2.CC(C)(C)OC1CC(OCCCOCCCC2CN(C(C)(C)C)C2)C1.CC(C)(C)OC1CC(OCCCOCCCN2CC(OC(C)(C)C)C2)C1.CC(C)(C)OC1CC2(C1)CN(CCCOCCCCOC1CN(C(C)(C)C)C1)C2.CC(C)(C)OCCCCOCCCCN1CC2(CC(OC(C)(C)C)C2)C1.CC(C)(C)OCCCCOCCCCOC1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)OCCCOCCCC1CN(C(C)(C)C)C1.CC(C)(C)OCCCOCCCN1CC(OC(C)(C)C)C1.CN(C1CC(OC(C)(C)C)C1)C1CC2(C1)CN(C(=O)CCCCOC(C)(C)C)C2.
What is the InChIKey of 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine?
The InChIKey is JUFBKMXNKAPAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O3.C24H46N2O3.C22H40N2O3.2C22H43NO3.C21H41NO4.C21H41NO3.C17H35NO3.C17H35NO2.CH4/c1-22(2,3)28-11-9-8-10-21(27)26-16-24(17-26)14-19(15-24)25(7)18-12-20(13-18)29-23(4,5)6;1-22(2,3)26-16-21(17-26)28-13-8-7-11-27-12-9-10-25-18-24(19-25)14-20(15-24)29-23(4,5)6;1-20(2,3)17-10-22(11-17)15-23(16-22)19(25)14-26-8-7-9-27-18-12-24(13-18)21(4,5)6;1-20(2,3)23-17-22(18-23)15-19(16-22)25-13-9-7-11-24-12-8-10-14-26-21(4,5)6;1-20(2,3)25-14-10-9-13-24-12-8-7-11-23-17-22(18-23)15-19(16-22)26-21(4,5)6;1-20(2,3)25-18-13-17(14-18)24-12-8-11-23-10-7-9-22-15-19(16-22)26-21(4,5)6;1-20(2,3)22-15-17(16-22)9-7-10-23-11-8-12-24-18-13-19(14-18)25-21(4,5)6;1-16(2,3)20-12-8-11-19-10-7-9-18-13-15(14-18)21-17(4,5)6;1-16(2,3)18-13-15(14-18)9-7-10-19-11-8-12-20-17(4,5)6;/h18-20H,8-17H2,1-7H3;20-21H,7-19H2,1-6H3;17-18H,7-16H2,1-6H3;2*19H,7-18H2,1-6H3;17-19H,7-16H2,1-6H3;17-19H,7-16H2,1-6H3;15H,7-14H2,1-6H3;15H,7-14H2,1-6H3;1H4.
What are the key properties of 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine?
1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine has a molecular weight of 3269.13 g/mol, XLogP of 36.05, 86 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine is sourced from PubChem (CID 159025305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).