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

C167H311F8N23O8S — CID 167712138

IUPAC2-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
SMILESCC(=O)C1C2CN(C(C)(C)C)CC21.CC(=O)C1CCN(C(C)(C)C)C1.CC(=O)C1[C@H]2CN(C(C)(C)C)C[C@@H]12.CC(C)(C)N1CC2=C(CN=C2)C1.CC(C)(C)N1CCC(C(F)(F)F)C1.CC(C)(C)N1CCC(S(N)(=O)=O)C1.CC(C)(C)N1CCC2CC21.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.CC1(F)CCN(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]1CN(C(C)(C)C)C[C@@H]1F.C[C@H]1CCN(C(C)(C)C)C1.Cc1nccc(C2CCN(C(C)(C)C)C2)n1
InChIInChI=1S/C13H21N3.C12H21NO.2C11H19NO.2C10H18N2O.C10H16N2.C10H19NO.C9H16F3N.C9H17F2N.3C9H18FN.C9H17N.2C9H19N.C8H18N2O2S/c1-10-14-7-5-12(15-10)11-6-8-16(9-11)13(2,3)4;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;2*1-10(2,3)12-4-6-7(5-12)8(6)9(11)13;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-8(12)9-5-6-11(7-9)10(2,3)4;1-8(2,3)13-5-4-7(6-13)9(10,11)12;1-7-5-12(8(2,3)4)6-9(7,10)11;1-7-5-11(6-8(7)10)9(2,3)4;2*1-8(2,3)11-6-5-9(4,10)7-11;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)10-5-4-7(6-10)13(9,11)12/h5,7,11H,6,8-9H2,1-4H3;8-9,11H,5-7H2,1-4H3;2*8-10H,5-6H2,1-4H3;2*6-8H,4-5H2,1-3H3,(H2,11,13);4H,5-7H2,1-3H3;9H,5-7H2,1-4H3;7H,4-6H2,1-3H3;7H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;2*5-7H2,1-4H3;7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;7H,4-6H2,1-3H3,(H2,9,11,12)/t;;8-,9+,10?;;2*6-,7+,8?;;;;;7-,8+;;;;2*8-;/m..........1...10./s1
InChIKeyZZRYJDSWPJRXLL-UVENFYIISA-N
MW2953.53 g/mol
LogP29.32
Rot. Bonds9

About 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

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 (PubChem CID 167712138) has the molecular formula C167H311F8N23O8S and a molecular weight of 2953.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167712138
Molecular FormulaC167H311F8N23O8S
Molecular Weight2953.53 g/mol
Exact Mass2951.42
IUPAC Name2-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
SMILESCC(=O)C1C2CN(C(C)(C)C)CC21.CC(=O)C1CCN(C(C)(C)C)C1.CC(=O)C1[C@H]2CN(C(C)(C)C)C[C@@H]12.CC(C)(C)N1CC2=C(CN=C2)C1.CC(C)(C)N1CCC(C(F)(F)F)C1.CC(C)(C)N1CCC(S(N)(=O)=O)C1.CC(C)(C)N1CCC2CC21.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.CC1(F)CCN(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]1CN(C(C)(C)C)C[C@@H]1F.C[C@H]1CCN(C(C)(C)C)C1.Cc1nccc(C2CCN(C(C)(C)C)C2)n1
InChIInChI=1S/C13H21N3.C12H21NO.2C11H19NO.2C10H18N2O.C10H16N2.C10H19NO.C9H16F3N.C9H17F2N.3C9H18FN.C9H17N.2C9H19N.C8H18N2O2S/c1-10-14-7-5-12(15-10)11-6-8-16(9-11)13(2,3)4;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;2*1-10(2,3)12-4-6-7(5-12)8(6)9(11)13;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-8(12)9-5-6-11(7-9)10(2,3)4;1-8(2,3)13-5-4-7(6-13)9(10,11)12;1-7-5-12(8(2,3)4)6-9(7,10)11;1-7-5-11(6-8(7)10)9(2,3)4;2*1-8(2,3)11-6-5-9(4,10)7-11;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)10-5-4-7(6-10)13(9,11)12/h5,7,11H,6,8-9H2,1-4H3;8-9,11H,5-7H2,1-4H3;2*8-10H,5-6H2,1-4H3;2*6-8H,4-5H2,1-3H3,(H2,11,13);4H,5-7H2,1-3H3;9H,5-7H2,1-4H3;7H,4-6H2,1-3H3;7H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;2*5-7H2,1-4H3;7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;7H,4-6H2,1-3H3,(H2,9,11,12)/t;;8-,9+,10?;;2*6-,7+,8?;;;;;7-,8+;;;;2*8-;/m..........1...10./s1
InChIKeyZZRYJDSWPJRXLL-UVENFYIISA-N
XLogP29.32
TPSA307.84 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds9
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002953.53
LogP ≤ 529.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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;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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C1C2CN(C(C)(C)C)CC21.CC(=O)C1CCN(C(C)(C)C)C1.CC(=O)C1[C@H]2CN(C(C)(C)C)C[C@@H]12.CC(C)(C)N1CC2=C(CN=C2)C1.CC(C)(C)N1CCC(C(F)(F)F)C1.CC(C)(C)N1CCC(S(N)(=O)=O)C1.CC(C)(C)N1CCC2CC21.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.CC1(F)CCN(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]1CN(C(C)(C)C)C[C@@H]1F.C[C@H]1CCN(C(C)(C)C)C1.Cc1nccc(C2CCN(C(C)(C)C)C2)n1.
What is the InChIKey of 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?
The InChIKey is ZZRYJDSWPJRXLL-UVENFYIISA-N. The full InChI is InChI=1S/C13H21N3.C12H21NO.2C11H19NO.2C10H18N2O.C10H16N2.C10H19NO.C9H16F3N.C9H17F2N.3C9H18FN.C9H17N.2C9H19N.C8H18N2O2S/c1-10-14-7-5-12(15-10)11-6-8-16(9-11)13(2,3)4;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;2*1-10(2,3)12-4-6-7(5-12)8(6)9(11)13;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-8(12)9-5-6-11(7-9)10(2,3)4;1-8(2,3)13-5-4-7(6-13)9(10,11)12;1-7-5-12(8(2,3)4)6-9(7,10)11;1-7-5-11(6-8(7)10)9(2,3)4;2*1-8(2,3)11-6-5-9(4,10)7-11;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)10-5-4-7(6-10)13(9,11)12/h5,7,11H,6,8-9H2,1-4H3;8-9,11H,5-7H2,1-4H3;2*8-10H,5-6H2,1-4H3;2*6-8H,4-5H2,1-3H3,(H2,11,13);4H,5-7H2,1-3H3;9H,5-7H2,1-4H3;7H,4-6H2,1-3H3;7H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;2*5-7H2,1-4H3;7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;7H,4-6H2,1-3H3,(H2,9,11,12)/t;;8-,9+,10?;;2*6-,7+,8?;;;;;7-,8+;;;;2*8-;/m..........1...10./s1.
What are the key properties of 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?
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 has a molecular weight of 2953.53 g/mol, XLogP of 29.32, 9 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167712138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).