(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine

C263H530F19N47O5 — CID 157389293

About (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine

(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine (PubChem CID 157389293) has the molecular formula C263H530F19N47O5 and a molecular weight of 4792.42 g/mol. Its IUPAC name is (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine.

Molecular Properties

• Compound Name: (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
• PubChem CID: 157389293
• Molecular Formula: C263H530F19N47O5
• Molecular Weight: 4792.42 g/mol
• Exact Mass: 4789.24
• IUPAC Name: (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
• SMILES: C[C@@H]1C(CN(C)C)[C@@H](F)CN1C(C)(C)C.C[C@@H]1C(CN2CCNCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1C(CN2CCNCC2)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1C[C@@H](F)C(CN(C)C)N1C(C)(C)C.C[C@@H]1C[C@@H](F)C(CN)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@@H](CN(C)C)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@@H](CN)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@@H](CN2CCNCC2)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@@H](CN2CCOCC2)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@H](CN(C)C)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@H](CN)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@H](CN2CCNCC2)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@H](CN2CCOCC2)N1C(C)(C)C.C[C@@H]1C[C@@]2(CN)CC2N1C(C)(C)C.C[C@@H]1[C@@H](CN(C)C)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H](CN)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H](CN)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H](CN2CCNCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C
• InChI: InChI=1S/C16H31N3.4C14H28FN3.5C14H27FN2O.5C12H25FN2.C11H22N2.5C10H21FN2/c1-12-13(11-18-8-6-17-7-9-18)16(5)10-14(16)19(12)15(2,3)4;2*1-11-12(9-17-7-5-16-6-8-17)13(15)10-18(11)14(2,3)4;2*1-11-9-12(15)13(18(11)14(2,3)4)10-17-7-5-16-6-8-17;3*1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4;2*1-11-9-12(15)13(17(11)14(2,3)4)10-16-5-7-18-8-6-16;2*1-9-10(7-14(5)6)11(13)8-15(9)12(2,3)4;3*1-9-7-10(13)11(8-14(5)6)15(9)12(2,3)4;1-8-5-11(7-12)6-9(11)13(8)10(2,3)4;2*1-7-8(5-12)9(11)6-13(7)10(2,3)4;3*1-7-5-8(11)9(6-12)13(7)10(2,3)4/h12-14,17H,6-11H2,1-5H3;4*11-13,16H,5-10H2,1-4H3;5*11-13H,5-10H2,1-4H3;5*9-11H,7-8H2,1-6H3;8-9H,5-7,12H2,1-4H3;5*7-9H,5-6,12H2,1-4H3/t12-,13?,14-,16-;11-,12?,13+;2*11-,12-,13+;11-,12-,13-;2*11-,12?,13+;2*11-,12-,13+;11-,12-,13-;9-,10?,11+;9-,10-,11+;9-,10-,11?;9-,10-,11+;9-,10-,11-;8-,9?,11+;2*7-,8-,9+;7-,8-,9?;7-,8-,9+;7-,8-,9-/m111111111111111111111/s1
• InChIKey: BLUOUGMBFKVGLF-MVQHPWSNSA-N
• XLogP: 36.12
• TPSA: 379.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 52
• Rotatable Bonds: 36
• Heavy Atoms: 334
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4792.42
LogP ≤ 5	36.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?

The IUPAC name of (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine (CID 157389293) is (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine.

What is the SMILES notation for (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?

The canonical SMILES for (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine is C[C@@H]1C(CN(C)C)[C@@H](F)CN1C(C)(C)C.C[C@@H]1C(CN2CCNCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1C(CN2CCNCC2)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1C[C@@H](F)C(CN(C)C)N1C(C)(C)C.C[C@@H]1C[C@@H](F)C(CN)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@@H](CN(C)C)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@@H](CN)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@@H](CN2CCNCC2)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@@H](CN2CCOCC2)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@H](CN(C)C)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@H](CN)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@H](CN2CCNCC2)N1C(C)(C)C.C[C@@H]1C[C@@H](F)[C@H](CN2CCOCC2)N1C(C)(C)C.C[C@@H]1C[C@@]2(CN)CC2N1C(C)(C)C.C[C@@H]1[C@@H](CN(C)C)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H](CN)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H](CN)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H](CN2CCNCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C.

What is the InChIKey of (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?

The InChIKey is BLUOUGMBFKVGLF-MVQHPWSNSA-N. The full InChI is InChI=1S/C16H31N3.4C14H28FN3.5C14H27FN2O.5C12H25FN2.C11H22N2.5C10H21FN2/c1-12-13(11-18-8-6-17-7-9-18)16(5)10-14(16)19(12)15(2,3)4;2*1-11-12(9-17-7-5-16-6-8-17)13(15)10-18(11)14(2,3)4;2*1-11-9-12(15)13(18(11)14(2,3)4)10-17-7-5-16-6-8-17;3*1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4;2*1-11-9-12(15)13(17(11)14(2,3)4)10-16-5-7-18-8-6-16;2*1-9-10(7-14(5)6)11(13)8-15(9)12(2,3)4;3*1-9-7-10(13)11(8-14(5)6)15(9)12(2,3)4;1-8-5-11(7-12)6-9(11)13(8)10(2,3)4;2*1-7-8(5-12)9(11)6-13(7)10(2,3)4;3*1-7-5-8(11)9(6-12)13(7)10(2,3)4/h12-14,17H,6-11H2,1-5H3;4*11-13,16H,5-10H2,1-4H3;5*11-13H,5-10H2,1-4H3;5*9-11H,7-8H2,1-6H3;8-9H,5-7,12H2,1-4H3;5*7-9H,5-6,12H2,1-4H3/t12-,13?,14-,16-;11-,12?,13+;2*11-,12-,13+;11-,12-,13-;2*11-,12?,13+;2*11-,12-,13+;11-,12-,13-;9-,10?,11+;9-,10-,11+;9-,10-,11?;9-,10-,11+;9-,10-,11-;8-,9?,11+;2*7-,8-,9+;7-,8-,9?;7-,8-,9+;7-,8-,9-/m111111111111111111111/s1.

What are the key properties of (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine?

(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine has a molecular weight of 4792.42 g/mol, XLogP of 36.12, 36 rotatable bonds, 11 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;1-[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;1-[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]-N,N-dimethylmethanamine;bis([(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine);[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methanamine;4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;4-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;bis(4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine);1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[[(2S,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;[(3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine is sourced from PubChem (CID 157389293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).