2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole

C180H331F9N24O8S — CID 161045477

IUPAC2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole
SMILESCC(=O)C1C2CN(C(C)(C)C)CC21.CC(=O)C1[C@H]2CN(C(C)(C)C)C[C@@H]12.CC(C)(C)N1CC2=C(CC=C2)C1.CC(C)(C)N1CCC(C(N)=O)C1.CC(C)(C)N1CCC(C2=CC=NC2)C1.CC(C)(C)N1CCC(S(C)(=O)=O)C1.CC(C)(C)N1CCC2CC21.CC(C)(C)N1C[C@@H](F)[C@@H](F)C1.CC(C)(C)N1C[C@@H]2C(C(N)=O)[C@@H]2C1.CC(C)(C)N1C[C@@H]2C(C(N)=O)[C@@H]2C1.CC(F)(F)C1CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC1(F)F.CCC(=O)C1C2CN(C(C)(C)C)CC21.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CN(C(C)(C)C)CC1(F)F.Cc1nccc(C2CCN(C(C)(C)C)C2)n1
InChIInChI=1S/C13H21N3.C12H20N2.C12H21NO.2C11H19NO.C11H17N.C10H19F2N.2C10H18N2O.2C9H17F2N.C9H18FN.C9H18N2O.C9H19NO2S.C9H17N.2C9H19N.C8H15F2N/c1-10-14-7-5-12(15-10)11-6-8-16(9-11)13(2,3)4;1-12(2,3)14-7-5-11(9-14)10-4-6-13-8-10;1-5-10(14)11-8-6-13(7-9(8)11)12(2,3)4;2*1-7(13)10-8-5-12(6-9(8)10)11(2,3)4;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-9(2,3)13-6-5-8(7-13)10(4,11)12;2*1-10(2,3)12-4-6-7(5-12)8(6)9(11)13;2*1-7-5-12(8(2,3)4)6-9(7,10)11;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-5-4-7(6-11)8(10)12;1-9(2,3)10-6-5-8(7-10)13(4,11)12;1-9(2,3)10-5-4-7-6-8(7)10;2*1-8-5-6-10(7-8)9(2,3)4;1-8(2,3)11-4-6(9)7(10)5-11/h5,7,11H,6,8-9H2,1-4H3;4,6,11H,5,7-9H2,1-3H3;8-9,11H,5-7H2,1-4H3;2*8-10H,5-6H2,1-4H3;4-5H,6-8H2,1-3H3;8H,5-7H2,1-4H3;2*6-8H,4-5H2,1-3H3,(H2,11,13);2*7H,5-6H2,1-4H3;5-7H2,1-4H3;7H,4-6H2,1-3H3,(H2,10,12);8H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;6-7H,4-5H2,1-3H3/t;;;8-,9+,10?;;;;2*6-,7+,8?;7-;;;;;;2*8-;6-,7+/m.........0.....10./s1
InChIKeyUBLFRQZXBWPBRB-NZLMEYOCSA-N
MW3162.84 g/mol
LogP31.92
Rot. Bonds11

About 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole

2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole (PubChem CID 161045477) has the molecular formula C180H331F9N24O8S and a molecular weight of 3162.84 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole
PubChem CID161045477
Molecular FormulaC180H331F9N24O8S
Molecular Weight3162.84 g/mol
Exact Mass3160.58
IUPAC Name2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole
SMILESCC(=O)C1C2CN(C(C)(C)C)CC21.CC(=O)C1[C@H]2CN(C(C)(C)C)C[C@@H]12.CC(C)(C)N1CC2=C(CC=C2)C1.CC(C)(C)N1CCC(C(N)=O)C1.CC(C)(C)N1CCC(C2=CC=NC2)C1.CC(C)(C)N1CCC(S(C)(=O)=O)C1.CC(C)(C)N1CCC2CC21.CC(C)(C)N1C[C@@H](F)[C@@H](F)C1.CC(C)(C)N1C[C@@H]2C(C(N)=O)[C@@H]2C1.CC(C)(C)N1C[C@@H]2C(C(N)=O)[C@@H]2C1.CC(F)(F)C1CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC1(F)F.CCC(=O)C1C2CN(C(C)(C)C)CC21.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CN(C(C)(C)C)CC1(F)F.Cc1nccc(C2CCN(C(C)(C)C)C2)n1
InChIInChI=1S/C13H21N3.C12H20N2.C12H21NO.2C11H19NO.C11H17N.C10H19F2N.2C10H18N2O.2C9H17F2N.C9H18FN.C9H18N2O.C9H19NO2S.C9H17N.2C9H19N.C8H15F2N/c1-10-14-7-5-12(15-10)11-6-8-16(9-11)13(2,3)4;1-12(2,3)14-7-5-11(9-14)10-4-6-13-8-10;1-5-10(14)11-8-6-13(7-9(8)11)12(2,3)4;2*1-7(13)10-8-5-12(6-9(8)10)11(2,3)4;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-9(2,3)13-6-5-8(7-13)10(4,11)12;2*1-10(2,3)12-4-6-7(5-12)8(6)9(11)13;2*1-7-5-12(8(2,3)4)6-9(7,10)11;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-5-4-7(6-11)8(10)12;1-9(2,3)10-6-5-8(7-10)13(4,11)12;1-9(2,3)10-5-4-7-6-8(7)10;2*1-8-5-6-10(7-8)9(2,3)4;1-8(2,3)11-4-6(9)7(10)5-11/h5,7,11H,6,8-9H2,1-4H3;4,6,11H,5,7-9H2,1-3H3;8-9,11H,5-7H2,1-4H3;2*8-10H,5-6H2,1-4H3;4-5H,6-8H2,1-3H3;8H,5-7H2,1-4H3;2*6-8H,4-5H2,1-3H3,(H2,11,13);2*7H,5-6H2,1-4H3;5-7H2,1-4H3;7H,4-6H2,1-3H3,(H2,10,12);8H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;6-7H,4-5H2,1-3H3/t;;;8-,9+,10?;;;;2*6-,7+,8?;7-;;;;;;2*8-;6-,7+/m.........0.....10./s1
InChIKeyUBLFRQZXBWPBRB-NZLMEYOCSA-N
XLogP31.92
TPSA311.08 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds11
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003162.84
LogP ≤ 531.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-(1-tert-butylpyrrolidin-3-yl)ethanone;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole
CID 157987534
2-tert-butyl-2-azabicyclo[3.1.0]hexane;1-[(1R,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;1-tert-butyl-3,3-difluoropyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;(3R)-1-tert-butyl-3-ethyl-3-methylpyrrolidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;2-(1-tert-butylpyrrolidin-3-yl)-1-methylimidazole;5-(1-tert-butylpyrrolidin-3-yl)-1-methylimidazole;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;2-(1-tert-butylpyrrolidin-3-yl)-1H-pyrrole
CID 161475652
2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1R,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;bis(1-tert-butyl-3-fluoro-3-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpyrrolidine-3-sulfonamide;1-(1-tert-butylpyrrolidin-3-yl)ethanone;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;1-tert-butyl-3-(trifluoromethyl)pyrrolidine
CID 167712138

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole?
The IUPAC name of 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole (CID 161045477) is 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole.
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole is CC(=O)C1C2CN(C(C)(C)C)CC21.CC(=O)C1[C@H]2CN(C(C)(C)C)C[C@@H]12.CC(C)(C)N1CC2=C(CC=C2)C1.CC(C)(C)N1CCC(C(N)=O)C1.CC(C)(C)N1CCC(C2=CC=NC2)C1.CC(C)(C)N1CCC(S(C)(=O)=O)C1.CC(C)(C)N1CCC2CC21.CC(C)(C)N1C[C@@H](F)[C@@H](F)C1.CC(C)(C)N1C[C@@H]2C(C(N)=O)[C@@H]2C1.CC(C)(C)N1C[C@@H]2C(C(N)=O)[C@@H]2C1.CC(F)(F)C1CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC1(F)F.CCC(=O)C1C2CN(C(C)(C)C)CC21.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CN(C(C)(C)C)CC1(F)F.Cc1nccc(C2CCN(C(C)(C)C)C2)n1.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole?
The InChIKey is UBLFRQZXBWPBRB-NZLMEYOCSA-N. The full InChI is InChI=1S/C13H21N3.C12H20N2.C12H21NO.2C11H19NO.C11H17N.C10H19F2N.2C10H18N2O.2C9H17F2N.C9H18FN.C9H18N2O.C9H19NO2S.C9H17N.2C9H19N.C8H15F2N/c1-10-14-7-5-12(15-10)11-6-8-16(9-11)13(2,3)4;1-12(2,3)14-7-5-11(9-14)10-4-6-13-8-10;1-5-10(14)11-8-6-13(7-9(8)11)12(2,3)4;2*1-7(13)10-8-5-12(6-9(8)10)11(2,3)4;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-9(2,3)13-6-5-8(7-13)10(4,11)12;2*1-10(2,3)12-4-6-7(5-12)8(6)9(11)13;2*1-7-5-12(8(2,3)4)6-9(7,10)11;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-5-4-7(6-11)8(10)12;1-9(2,3)10-6-5-8(7-10)13(4,11)12;1-9(2,3)10-5-4-7-6-8(7)10;2*1-8-5-6-10(7-8)9(2,3)4;1-8(2,3)11-4-6(9)7(10)5-11/h5,7,11H,6,8-9H2,1-4H3;4,6,11H,5,7-9H2,1-3H3;8-9,11H,5-7H2,1-4H3;2*8-10H,5-6H2,1-4H3;4-5H,6-8H2,1-3H3;8H,5-7H2,1-4H3;2*6-8H,4-5H2,1-3H3,(H2,11,13);2*7H,5-6H2,1-4H3;5-7H2,1-4H3;7H,4-6H2,1-3H3,(H2,10,12);8H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;6-7H,4-5H2,1-3H3/t;;;8-,9+,10?;;;;2*6-,7+,8?;7-;;;;;;2*8-;6-,7+/m.........0.....10./s1.
What are the key properties of 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole?
2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole has a molecular weight of 3162.84 g/mol, XLogP of 31.92, 11 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[3.1.0]hexane;bis((1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexane-6-carboxamide);1-[(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)ethanone;1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-1-one;1-tert-butyl-3-(1,1-difluoroethyl)pyrrolidine;1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(4S)-1-tert-butyl-3,3-difluoro-4-methylpyrrolidine;(3S,4R)-1-tert-butyl-3,4-difluoropyrrolidine;2-tert-butyl-3,6-dihydro-1H-cyclopenta[c]pyrrole;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylsulfonylpyrrolidine;1-tert-butylpyrrolidine-3-carboxamide;4-(1-tert-butylpyrrolidin-3-yl)-2-methylpyrimidine;3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole is sourced from PubChem (CID 161045477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).