2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)

C246H509N27O — CID 159129061

IUPAC2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)
SMILESC1CC2CNC2CN1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1C2CN(C(C)(C)C)CC21.CC(C)(C)C1CC12CCN(C(C)(C)C)C2.CC(C)(C)C1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)C1CC2CNCCN2C1.CC(C)(C)C1CCOC1.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2.CC(C)(C)N1CC2CCC2C1.CC(C)(C)N1CC2CCCCC2C1.CC(C)(C)N1CC2CCCN(C(C)(C)C)C2C1.CC(C)(C)N1CC2CCNCC2C1.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CC2CNC2C1.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2CNCCC2C1.CC(C)(C)N1CCC2NCC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/C16H32N2.C15H30N2.C15H29N.C14H28N2.C14H27N.C13H26N2.C13H25N.C12H24N2.C12H23N.2C11H22N2.2C10H20N2.C10H19N.C9H18N2.C8H16O.C6H12N2.3C5H12.8C4H10/c1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-14(2,3)16-10-12-8-7-9-17(13(12)11-16)15(4,5)6;1-14(2,3)13-7-11-9-16(15(4,5)6)10-12(11)8-13;1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-12(2,3)11-9-14(11)7-8-15(10-14)13(4,5)6;1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-12(2,3)11-9-7-14(8-10(9)11)13(4,5)6;1-12(2,3)14-7-5-10-8-13-6-4-11(10)9-14;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)9-6-10-7-12-4-5-13(10)8-9;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-10(2,3)12-5-4-9-8(7-12)6-11-9;1-10(2,3)12-7-8-4-5-9(12)6-11-8;1-10(2,3)11-6-8-4-5-9(8)7-11;1-9(2,3)11-5-7-4-10-8(7)6-11;1-8(2,3)7-4-5-9-6-7;1-2-7-4-6-5(1)3-8-6;3*1-5(2,3)4;8*1-4(2)3/h13-14H,7-12H2,1-6H3;12-13H,7-11H2,1-6H3;11-13H,7-10H2,1-6H3;11-12H,7-10H2,1-6H3;11H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;9-11H,7-8H2,1-6H3;10-11,13H,4-9H2,1-3H3;10-11H,4-9H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;2*8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;7H,4-6H2,1-3H3;5-8H,1-4H2;3*1-4H3;8*4H,1-3H3
InChIKeyKGQMTMFJHNXEPD-UHFFFAOYSA-N
MW3861.97 g/mol
LogP54.82
Rot. Bonds

About 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)

2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane) (PubChem CID 159129061) has the molecular formula C246H509N27O and a molecular weight of 3861.97 g/mol. Its IUPAC name is 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane).

Molecular Properties

Compound Name2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)
PubChem CID159129061
Molecular FormulaC246H509N27O
Molecular Weight3861.97 g/mol
Exact Mass3859.06
IUPAC Name2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)
SMILESC1CC2CNC2CN1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1C2CN(C(C)(C)C)CC21.CC(C)(C)C1CC12CCN(C(C)(C)C)C2.CC(C)(C)C1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)C1CC2CNCCN2C1.CC(C)(C)C1CCOC1.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2.CC(C)(C)N1CC2CCC2C1.CC(C)(C)N1CC2CCCCC2C1.CC(C)(C)N1CC2CCCN(C(C)(C)C)C2C1.CC(C)(C)N1CC2CCNCC2C1.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CC2CNC2C1.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2CNCCC2C1.CC(C)(C)N1CCC2NCC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/C16H32N2.C15H30N2.C15H29N.C14H28N2.C14H27N.C13H26N2.C13H25N.C12H24N2.C12H23N.2C11H22N2.2C10H20N2.C10H19N.C9H18N2.C8H16O.C6H12N2.3C5H12.8C4H10/c1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-14(2,3)16-10-12-8-7-9-17(13(12)11-16)15(4,5)6;1-14(2,3)13-7-11-9-16(15(4,5)6)10-12(11)8-13;1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-12(2,3)11-9-14(11)7-8-15(10-14)13(4,5)6;1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-12(2,3)11-9-7-14(8-10(9)11)13(4,5)6;1-12(2,3)14-7-5-10-8-13-6-4-11(10)9-14;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)9-6-10-7-12-4-5-13(10)8-9;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-10(2,3)12-5-4-9-8(7-12)6-11-9;1-10(2,3)12-7-8-4-5-9(12)6-11-8;1-10(2,3)11-6-8-4-5-9(8)7-11;1-9(2,3)11-5-7-4-10-8(7)6-11;1-8(2,3)7-4-5-9-6-7;1-2-7-4-6-5(1)3-8-6;3*1-5(2,3)4;8*1-4(2)3/h13-14H,7-12H2,1-6H3;12-13H,7-11H2,1-6H3;11-13H,7-10H2,1-6H3;11-12H,7-10H2,1-6H3;11H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;9-11H,7-8H2,1-6H3;10-11,13H,4-9H2,1-3H3;10-11H,4-9H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;2*8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;7H,4-6H2,1-3H3;5-8H,1-4H2;3*1-4H3;8*4H,1-3H3
InChIKeyKGQMTMFJHNXEPD-UHFFFAOYSA-N
XLogP54.82
TPSA167.03 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms274
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003861.97
LogP ≤ 554.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)?
The IUPAC name of 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane) (CID 159129061) is 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane).
What is the SMILES notation for 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)?
The canonical SMILES for 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane) is C1CC2CNC2CN1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1C2CN(C(C)(C)C)CC21.CC(C)(C)C1CC12CCN(C(C)(C)C)C2.CC(C)(C)C1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)C1CC2CNCCN2C1.CC(C)(C)C1CCOC1.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2.CC(C)(C)N1CC2CCC2C1.CC(C)(C)N1CC2CCCCC2C1.CC(C)(C)N1CC2CCCN(C(C)(C)C)C2C1.CC(C)(C)N1CC2CCNCC2C1.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CC2CNC2C1.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2CNCCC2C1.CC(C)(C)N1CCC2NCC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.
What is the InChIKey of 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)?
The InChIKey is KGQMTMFJHNXEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.C15H30N2.C15H29N.C14H28N2.C14H27N.C13H26N2.C13H25N.C12H24N2.C12H23N.2C11H22N2.2C10H20N2.C10H19N.C9H18N2.C8H16O.C6H12N2.3C5H12.8C4H10/c1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-14(2,3)16-10-12-8-7-9-17(13(12)11-16)15(4,5)6;1-14(2,3)13-7-11-9-16(15(4,5)6)10-12(11)8-13;1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-12(2,3)11-9-14(11)7-8-15(10-14)13(4,5)6;1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-12(2,3)11-9-7-14(8-10(9)11)13(4,5)6;1-12(2,3)14-7-5-10-8-13-6-4-11(10)9-14;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)9-6-10-7-12-4-5-13(10)8-9;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-10(2,3)12-5-4-9-8(7-12)6-11-9;1-10(2,3)12-7-8-4-5-9(12)6-11-8;1-10(2,3)11-6-8-4-5-9(8)7-11;1-9(2,3)11-5-7-4-10-8(7)6-11;1-8(2,3)7-4-5-9-6-7;1-2-7-4-6-5(1)3-8-6;3*1-5(2,3)4;8*1-4(2)3/h13-14H,7-12H2,1-6H3;12-13H,7-11H2,1-6H3;11-13H,7-10H2,1-6H3;11-12H,7-10H2,1-6H3;11H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;9-11H,7-8H2,1-6H3;10-11,13H,4-9H2,1-3H3;10-11H,4-9H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;2*8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;7H,4-6H2,1-3H3;5-8H,1-4H2;3*1-4H3;8*4H,1-3H3.
What are the key properties of 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane)?
2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane) has a molecular weight of 3861.97 g/mol, XLogP of 54.82, 0 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;6-tert-butyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;7-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,7-diazabicyclo[4.2.0]octane;3-tert-butyloxolane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1,6-ditert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-5-azaspiro[2.4]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;tris(2,2-dimethylpropane);octakis(2-methylpropane) is sourced from PubChem (CID 159129061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).