5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine

C179H331F23N20O6 — CID 165017233

IUPAC5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)C1C2CCC1CC(F)(F)C2.CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1CC(F)C2(CC2)C1.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CCC1(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC2CC1CO2.CC(C)N1CC2CC2C1C(F)(F)F.CC(C)N1CC2CCC1CO2.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC1C.CC(C)N1CCCCC1C.CC(C)N1CCCCC1C(F)(F)F.CC(C)N1CCN(C)CC1C.CC(C)N1CCOC2CC21.CC1CCN1C(C)(C)C
InChIInChI=1S/C12H20F2.C10H16F3NO.C10H18FN.2C10H19NO.C10H19N.C9H14F3N.C9H16F3N.2C9H15F2N.C9H20N2.C9H17NO.C9H19N.C8H15F2N.2C8H15NO.2C8H17N.C7H12F3N.C7H13F2N/c1-11(2,3)10-8-4-5-9(10)7-12(13,14)6-8;1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-9(2,3)12-6-8(11)10(7-12)4-5-10;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-9(2,3)11-7-6-10(8-11)4-5-10;1-5(2)13-4-6-3-7(6)8(13)9(10,11)12;1-7(2)13-6-4-3-5-8(13)9(10,11)12;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-8(2)11-6-5-10(4)7-9(11)3;1-7(2)10-5-9-4-3-8(10)6-11-9;1-8(2)10-7-5-4-6-9(10)3;1-7(2)11-5-3-4-8(9,10)6-11;1-6(2)9-4-8-3-7(9)5-10-8;1-6(2)9-3-4-10-8-5-7(8)9;1-7-5-6-9(7)8(2,3)4;1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-6(2,3)10-5-4-7(10,8)9/h8-10H,4-7H2,1-3H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;8-9H,5-7H2,1-4H3;7-9H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;4-5H2,1-3H3
InChIKeyKPQHEXUTZQLUEH-UHFFFAOYSA-N
MW3296.70 g/mol
LogP39.57
Rot. Bonds12

About 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine

5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine (PubChem CID 165017233) has the molecular formula C179H331F23N20O6 and a molecular weight of 3296.70 g/mol. Its IUPAC name is 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine
PubChem CID165017233
Molecular FormulaC179H331F23N20O6
Molecular Weight3296.70 g/mol
Exact Mass3294.58
IUPAC Name5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)C1C2CCC1CC(F)(F)C2.CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1CC(F)C2(CC2)C1.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CCC1(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC2CC1CO2.CC(C)N1CC2CC2C1C(F)(F)F.CC(C)N1CC2CCC1CO2.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC1C.CC(C)N1CCCCC1C.CC(C)N1CCCCC1C(F)(F)F.CC(C)N1CCN(C)CC1C.CC(C)N1CCOC2CC21.CC1CCN1C(C)(C)C
InChIInChI=1S/C12H20F2.C10H16F3NO.C10H18FN.2C10H19NO.C10H19N.C9H14F3N.C9H16F3N.2C9H15F2N.C9H20N2.C9H17NO.C9H19N.C8H15F2N.2C8H15NO.2C8H17N.C7H12F3N.C7H13F2N/c1-11(2,3)10-8-4-5-9(10)7-12(13,14)6-8;1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-9(2,3)12-6-8(11)10(7-12)4-5-10;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-9(2,3)11-7-6-10(8-11)4-5-10;1-5(2)13-4-6-3-7(6)8(13)9(10,11)12;1-7(2)13-6-4-3-5-8(13)9(10,11)12;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-8(2)11-6-5-10(4)7-9(11)3;1-7(2)10-5-9-4-3-8(10)6-11-9;1-8(2)10-7-5-4-6-9(10)3;1-7(2)11-5-3-4-8(9,10)6-11;1-6(2)9-4-8-3-7(9)5-10-8;1-6(2)9-3-4-10-8-5-7(8)9;1-7-5-6-9(7)8(2,3)4;1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-6(2,3)10-5-4-7(10,8)9/h8-10H,4-7H2,1-3H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;8-9H,5-7H2,1-4H3;7-9H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;4-5H2,1-3H3
InChIKeyKPQHEXUTZQLUEH-UHFFFAOYSA-N
XLogP39.57
TPSA120.18 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003296.70
LogP ≤ 539.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine?
The IUPAC name of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine (CID 165017233) is 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine?
The canonical SMILES for 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine is CC(C)(C)C1C2CCC1CC(F)(F)C2.CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1CC(F)C2(CC2)C1.CC(C)(C)N1CC2C(C1)C2(F)F.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CCC1(F)F.CC(C)(C)N1CCC2(CC2)C1.CC(C)N1C2CCC(OC2)C1C(F)(F)F.CC(C)N1CC(C(F)(F)F)C1.CC(C)N1CC2CC1CO2.CC(C)N1CC2CC2C1C(F)(F)F.CC(C)N1CC2CCC1CO2.CC(C)N1CCC12CC(F)(F)C2.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC1C.CC(C)N1CCCCC1C.CC(C)N1CCCCC1C(F)(F)F.CC(C)N1CCN(C)CC1C.CC(C)N1CCOC2CC21.CC1CCN1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine?
The InChIKey is KPQHEXUTZQLUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2.C10H16F3NO.C10H18FN.2C10H19NO.C10H19N.C9H14F3N.C9H16F3N.2C9H15F2N.C9H20N2.C9H17NO.C9H19N.C8H15F2N.2C8H15NO.2C8H17N.C7H12F3N.C7H13F2N/c1-11(2,3)10-8-4-5-9(10)7-12(13,14)6-8;1-6(2)14-7-3-4-8(15-5-7)9(14)10(11,12)13;1-9(2,3)12-6-8(11)10(7-12)4-5-10;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-9(2,3)11-7-6-10(8-11)4-5-10;1-5(2)13-4-6-3-7(6)8(13)9(10,11)12;1-7(2)13-6-4-3-5-8(13)9(10,11)12;1-8(2,3)12-4-6-7(5-12)9(6,10)11;1-7(2)12-4-3-8(12)5-9(10,11)6-8;1-8(2)11-6-5-10(4)7-9(11)3;1-7(2)10-5-9-4-3-8(10)6-11-9;1-8(2)10-7-5-4-6-9(10)3;1-7(2)11-5-3-4-8(9,10)6-11;1-6(2)9-4-8-3-7(9)5-10-8;1-6(2)9-3-4-10-8-5-7(8)9;1-7-5-6-9(7)8(2,3)4;1-7(2)9-6-4-5-8(9)3;1-5(2)11-3-6(4-11)7(8,9)10;1-6(2,3)10-5-4-7(10,8)9/h8-10H,4-7H2,1-3H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;8-9H,5-7H2,1-4H3;7-9H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine?
5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine has a molecular weight of 3296.70 g/mol, XLogP of 39.57, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-azaspiro[2.4]heptane;3-tert-butyl-6,6-difluoro-3-azabicyclo[3.1.0]hexane;1-tert-butyl-2,2-difluoroazetidine;8-tert-butyl-3,3-difluorobicyclo[3.2.1]octane;5-tert-butyl-7-fluoro-5-azaspiro[2.4]heptane;1-tert-butyl-2-methylazetidine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;6,6-difluoro-1-propan-2-yl-1-azaspiro[3.3]heptane;3,3-difluoro-1-propan-2-ylpiperidine;2,4-dimethyl-1-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;3-propan-2-yl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;1-propan-2-yl-3-(trifluoromethyl)azetidine;5-propan-2-yl-6-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.2]octane;1-propan-2-yl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 165017233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).