(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C202H414FN21O10 — CID 157083722

IUPAC(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)(C)N1CC2CCC2C1.CC(C)(C)N1CCC(F)C2(CC2)C1.CC(C)(C)N1CCC2CC1CO2.CC(C)(C)N1CCCOCC1.CC(C)(C)N1CC[C@@H]2C[C@@H]2C1.CC(C)(C)N1CC[C@@H]2C[C@H]1CO2.CC(C)(C)N1CC[C@H]2C[C@@H]1CO2.CC(C)(C)N1CC[C@H]2C[C@H]2C1.CC(C)(C)N1C[C@H]2COC[C@H]2C1.CC(C)N1C2CCC1COC2.CC(C)N1C2COCC3CC321.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C1)O2.CC(C)N1CCC1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC1.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)N1C[C@H]2CC[C@@H]1C2.CC1(C)CN(C(C)(C)C)CCO1
InChIInChI=1S/C11H20FN.4C10H19NO.C10H21NO.4C10H19N.C9H15NO.2C9H17NO.C9H19NO.2C9H17N.C8H15N.C8H17N.C7H15NO.C7H15N.C6H13N.11CH4/c1-10(2,3)13-7-4-9(12)11(8-13)5-6-11;1-10(2,3)11-4-8-6-12-7-9(8)5-11;3*1-10(2,3)11-5-4-9-6-8(11)7-12-9;1-9(2,3)11-6-7-12-10(4,5)8-11;2*1-10(2,3)11-5-4-8-6-9(8)7-11;1-10(2,3)11-6-8-4-5-9(8)7-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-6(2)10-8-5-11-4-7-3-9(7,8)10;1-7(2)10-8-3-4-9(10)6-11-5-8;1-7(2)10-5-8-3-4-9(6-10)11-8;1-9(2,3)10-5-4-7-11-8-6-10;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-5-9(7-10)3-4-9;1-6(2)9-4-7-3-8(7)5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;;;;;;;;;;;/h9H,4-8H2,1-3H3;4*8-9H,4-7H2,1-3H3;6-8H2,1-5H3;3*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;6-8H,3-5H2,1-2H3;2*7-9H,3-6H2,1-2H3;4-8H2,1-3H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;11*1H4/t;3*8-,9+;;;2*8-,9-;;;;;;;8-,9+;;;;;;;;;;;;;;;;;/m..10..10......0................./s1
InChIKeyADVRHJCFGDWGNI-SRIVLTBMSA-N
MW3316.67 g/mol
LogP41.66
Rot. Bonds11

About (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 157083722) has the molecular formula C202H414FN21O10 and a molecular weight of 3316.67 g/mol. Its IUPAC name is (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID157083722
Molecular FormulaC202H414FN21O10
Molecular Weight3316.67 g/mol
Exact Mass3314.25
IUPAC Name(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)(C)N1CC2CCC2C1.CC(C)(C)N1CCC(F)C2(CC2)C1.CC(C)(C)N1CCC2CC1CO2.CC(C)(C)N1CCCOCC1.CC(C)(C)N1CC[C@@H]2C[C@@H]2C1.CC(C)(C)N1CC[C@@H]2C[C@H]1CO2.CC(C)(C)N1CC[C@H]2C[C@@H]1CO2.CC(C)(C)N1CC[C@H]2C[C@H]2C1.CC(C)(C)N1C[C@H]2COC[C@H]2C1.CC(C)N1C2CCC1COC2.CC(C)N1C2COCC3CC321.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C1)O2.CC(C)N1CCC1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC1.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)N1C[C@H]2CC[C@@H]1C2.CC1(C)CN(C(C)(C)C)CCO1
InChIInChI=1S/C11H20FN.4C10H19NO.C10H21NO.4C10H19N.C9H15NO.2C9H17NO.C9H19NO.2C9H17N.C8H15N.C8H17N.C7H15NO.C7H15N.C6H13N.11CH4/c1-10(2,3)13-7-4-9(12)11(8-13)5-6-11;1-10(2,3)11-4-8-6-12-7-9(8)5-11;3*1-10(2,3)11-5-4-9-6-8(11)7-12-9;1-9(2,3)11-6-7-12-10(4,5)8-11;2*1-10(2,3)11-5-4-8-6-9(8)7-11;1-10(2,3)11-6-8-4-5-9(8)7-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-6(2)10-8-5-11-4-7-3-9(7,8)10;1-7(2)10-8-3-4-9(10)6-11-5-8;1-7(2)10-5-8-3-4-9(6-10)11-8;1-9(2,3)10-5-4-7-11-8-6-10;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-5-9(7-10)3-4-9;1-6(2)9-4-7-3-8(7)5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;;;;;;;;;;;/h9H,4-8H2,1-3H3;4*8-9H,4-7H2,1-3H3;6-8H2,1-5H3;3*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;6-8H,3-5H2,1-2H3;2*7-9H,3-6H2,1-2H3;4-8H2,1-3H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;11*1H4/t;3*8-,9+;;;2*8-,9-;;;;;;;8-,9+;;;;;;;;;;;;;;;;;/m..10..10......0................./s1
InChIKeyADVRHJCFGDWGNI-SRIVLTBMSA-N
XLogP41.66
TPSA160.11 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds11
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003316.67
LogP ≤ 541.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 157083722) is (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)N1CC2CCC2C1.CC(C)(C)N1CCC(F)C2(CC2)C1.CC(C)(C)N1CCC2CC1CO2.CC(C)(C)N1CCCOCC1.CC(C)(C)N1CC[C@@H]2C[C@@H]2C1.CC(C)(C)N1CC[C@@H]2C[C@H]1CO2.CC(C)(C)N1CC[C@H]2C[C@@H]1CO2.CC(C)(C)N1CC[C@H]2C[C@H]2C1.CC(C)(C)N1C[C@H]2COC[C@H]2C1.CC(C)N1C2CCC1COC2.CC(C)N1C2COCC3CC321.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C1)O2.CC(C)N1CCC1.CC(C)N1CCC2(CC2)C1.CC(C)N1CCCC1.CC(C)N1CCCC2(CC2)C1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)N1C[C@H]2CC[C@@H]1C2.CC1(C)CN(C(C)(C)C)CCO1.
What is the InChIKey of (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is ADVRHJCFGDWGNI-SRIVLTBMSA-N. The full InChI is InChI=1S/C11H20FN.4C10H19NO.C10H21NO.4C10H19N.C9H15NO.2C9H17NO.C9H19NO.2C9H17N.C8H15N.C8H17N.C7H15NO.C7H15N.C6H13N.11CH4/c1-10(2,3)13-7-4-9(12)11(8-13)5-6-11;1-10(2,3)11-4-8-6-12-7-9(8)5-11;3*1-10(2,3)11-5-4-9-6-8(11)7-12-9;1-9(2,3)11-6-7-12-10(4,5)8-11;2*1-10(2,3)11-5-4-8-6-9(8)7-11;1-10(2,3)11-6-8-4-5-9(8)7-11;1-9(2)11-7-3-4-10(8-11)5-6-10;1-6(2)10-8-5-11-4-7-3-9(7,8)10;1-7(2)10-8-3-4-9(10)6-11-5-8;1-7(2)10-5-8-3-4-9(6-10)11-8;1-9(2,3)10-5-4-7-11-8-6-10;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-5-9(7-10)3-4-9;1-6(2)9-4-7-3-8(7)5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;;;;;;;;;;;/h9H,4-8H2,1-3H3;4*8-9H,4-7H2,1-3H3;6-8H2,1-5H3;3*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;6-8H,3-5H2,1-2H3;2*7-9H,3-6H2,1-2H3;4-8H2,1-3H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;11*1H4/t;3*8-,9+;;;2*8-,9-;;;;;;;8-,9+;;;;;;;;;;;;;;;;;/m..10..10......0................./s1.
What are the key properties of (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 3316.67 g/mol, XLogP of 41.66, 11 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;(1S,6S)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;(1R,6R)-3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.2.0]heptane;4-tert-butyl-2,2-dimethylmorpholine;5-tert-butyl-8-fluoro-5-azaspiro[2.5]octane;(1R,5S)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;(1S,5R)-2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;2-tert-butyl-6-oxa-2-azabicyclo[3.2.1]octane;4-tert-butyl-1,4-oxazepane;methane;(1R,4S)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.5]octane;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane;8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane;2-propan-2-yl-5-oxa-2-azatricyclo[5.1.0.01,3]octane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157083722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).