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

C183H363F5N32O3 — CID 159309721

IUPAC[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane
SMILESCCC.C[C@@H]1C(CN(C)C)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCNCC2)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN(C)C)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN3CCNCC3)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN3CCOCC3)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@](F)(CN2CCNCC2)CN1.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](CN2CCNCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/2C15H29N3.2C15H28N2O.C14H28FN3.C14H27FN2O.2C13H26N2.C12H25FN2.C12H24N2.2C11H22N2.C10H20FN3.C10H21FN2.C3H8/c1-12-9-15(11-17-7-5-16-6-8-17)10-13(15)18(12)14(2,3)4;1-11-13(10-17-7-5-16-6-8-17)12-9-14(12)18(11)15(2,3)4;1-12-9-15(11-16-5-7-18-8-6-16)10-13(15)17(12)14(2,3)4;1-11-13(10-16-5-7-18-8-6-16)12-9-14(12)17(11)15(2,3)4;1-11-12(9-17-7-5-16-6-8-17)13(15)10-18(11)14(2,3)4;1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4;1-10-7-13(9-14(5)6)8-11(13)15(10)12(2,3)4;1-9-11(8-14(5)6)10-7-12(10)15(9)13(2,3)4;1-9-10(7-14(5)6)11(13)8-15(9)12(2,3)4;1-8-9(7-13)12(5)6-10(12)14(8)11(2,3)4;1-8-5-11(7-12)6-9(11)13(8)10(2,3)4;1-7-9(6-12)8-5-10(8)13(7)11(2,3)4;1-9-6-10(11,7-13-9)8-14-4-2-12-3-5-14;1-7-8(5-12)9(11)6-13(7)10(2,3)4;1-3-2/h12-13,16H,5-11H2,1-4H3;11-14,16H,5-10H2,1-4H3;12-13H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;11-13,16H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3;10-11H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;9-11H,7-8H2,1-6H3;8-10H,6-7,13H2,1-5H3;8-9H,5-7,12H2,1-4H3;7-10H,5-6,12H2,1-4H3;9,12-13H,2-8H2,1H3;7-9H,5-6,12H2,1-4H3;3H2,1-2H3/t12-,13-,15+;11-,12-,13?,14-;12-,13-,15+;11-,12-,13?,14-;2*11-,12+,13+;10-,11-,13+;9-,10-,11?,12-;9-,10+,11+;8-,9?,10-,12-;8-,9-,11+;7-,8-,9?,10-;9-,10-;7-,8+,9+;/m11111111111111./s1
InChIKeyLCJOEKMGSNVXGK-SJDOCMSXSA-N
MW3155.13 g/mol
LogP23.81
Rot. Bonds24

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

[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane (PubChem CID 159309721) has the molecular formula C183H363F5N32O3 and a molecular weight of 3155.13 g/mol. Its IUPAC name is [(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane.

Molecular Properties

Compound Name[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane
PubChem CID159309721
Molecular FormulaC183H363F5N32O3
Molecular Weight3155.13 g/mol
Exact Mass3152.92
IUPAC Name[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane
SMILESCCC.C[C@@H]1C(CN(C)C)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCNCC2)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN(C)C)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN3CCNCC3)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN3CCOCC3)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@](F)(CN2CCNCC2)CN1.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](CN2CCNCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/2C15H29N3.2C15H28N2O.C14H28FN3.C14H27FN2O.2C13H26N2.C12H25FN2.C12H24N2.2C11H22N2.C10H20FN3.C10H21FN2.C3H8/c1-12-9-15(11-17-7-5-16-6-8-17)10-13(15)18(12)14(2,3)4;1-11-13(10-17-7-5-16-6-8-17)12-9-14(12)18(11)15(2,3)4;1-12-9-15(11-16-5-7-18-8-6-16)10-13(15)17(12)14(2,3)4;1-11-13(10-16-5-7-18-8-6-16)12-9-14(12)17(11)15(2,3)4;1-11-12(9-17-7-5-16-6-8-17)13(15)10-18(11)14(2,3)4;1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4;1-10-7-13(9-14(5)6)8-11(13)15(10)12(2,3)4;1-9-11(8-14(5)6)10-7-12(10)15(9)13(2,3)4;1-9-10(7-14(5)6)11(13)8-15(9)12(2,3)4;1-8-9(7-13)12(5)6-10(12)14(8)11(2,3)4;1-8-5-11(7-12)6-9(11)13(8)10(2,3)4;1-7-9(6-12)8-5-10(8)13(7)11(2,3)4;1-9-6-10(11,7-13-9)8-14-4-2-12-3-5-14;1-7-8(5-12)9(11)6-13(7)10(2,3)4;1-3-2/h12-13,16H,5-11H2,1-4H3;11-14,16H,5-10H2,1-4H3;12-13H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;11-13,16H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3;10-11H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;9-11H,7-8H2,1-6H3;8-10H,6-7,13H2,1-5H3;8-9H,5-7,12H2,1-4H3;7-10H,5-6,12H2,1-4H3;9,12-13H,2-8H2,1H3;7-9H,5-6,12H2,1-4H3;3H2,1-2H3/t12-,13-,15+;11-,12-,13?,14-;12-,13-,15+;11-,12-,13?,14-;2*11-,12+,13+;10-,11-,13+;9-,10-,11?,12-;9-,10+,11+;8-,9?,10-,12-;8-,9-,11+;7-,8-,9?,10-;9-,10-;7-,8+,9+;/m11111111111111./s1
InChIKeyLCJOEKMGSNVXGK-SJDOCMSXSA-N
XLogP23.81
TPSA266.44 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003155.13
LogP ≤ 523.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane?
The IUPAC name of [(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane (CID 159309721) is [(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane.
What is the SMILES notation for [(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane?
The canonical SMILES for [(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane is CCC.C[C@@H]1C(CN(C)C)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCNCC2)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@H]2C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN(C)C)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN3CCNCC3)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@@]2(CN3CCOCC3)C[C@H]2N1C(C)(C)C.C[C@@H]1C[C@](F)(CN2CCNCC2)CN1.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](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-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane?
The InChIKey is LCJOEKMGSNVXGK-SJDOCMSXSA-N. The full InChI is InChI=1S/2C15H29N3.2C15H28N2O.C14H28FN3.C14H27FN2O.2C13H26N2.C12H25FN2.C12H24N2.2C11H22N2.C10H20FN3.C10H21FN2.C3H8/c1-12-9-15(11-17-7-5-16-6-8-17)10-13(15)18(12)14(2,3)4;1-11-13(10-17-7-5-16-6-8-17)12-9-14(12)18(11)15(2,3)4;1-12-9-15(11-16-5-7-18-8-6-16)10-13(15)17(12)14(2,3)4;1-11-13(10-16-5-7-18-8-6-16)12-9-14(12)17(11)15(2,3)4;1-11-12(9-17-7-5-16-6-8-17)13(15)10-18(11)14(2,3)4;1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4;1-10-7-13(9-14(5)6)8-11(13)15(10)12(2,3)4;1-9-11(8-14(5)6)10-7-12(10)15(9)13(2,3)4;1-9-10(7-14(5)6)11(13)8-15(9)12(2,3)4;1-8-9(7-13)12(5)6-10(12)14(8)11(2,3)4;1-8-5-11(7-12)6-9(11)13(8)10(2,3)4;1-7-9(6-12)8-5-10(8)13(7)11(2,3)4;1-9-6-10(11,7-13-9)8-14-4-2-12-3-5-14;1-7-8(5-12)9(11)6-13(7)10(2,3)4;1-3-2/h12-13,16H,5-11H2,1-4H3;11-14,16H,5-10H2,1-4H3;12-13H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;11-13,16H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3;10-11H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;9-11H,7-8H2,1-6H3;8-10H,6-7,13H2,1-5H3;8-9H,5-7,12H2,1-4H3;7-10H,5-6,12H2,1-4H3;9,12-13H,2-8H2,1H3;7-9H,5-6,12H2,1-4H3;3H2,1-2H3/t12-,13-,15+;11-,12-,13?,14-;12-,13-,15+;11-,12-,13?,14-;2*11-,12+,13+;10-,11-,13+;9-,10-,11?,12-;9-,10+,11+;8-,9?,10-,12-;8-,9-,11+;7-,8-,9?,10-;9-,10-;7-,8+,9+;/m11111111111111./s1.
What are the key properties of [(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane?
[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane has a molecular weight of 3155.13 g/mol, XLogP of 23.81, 24 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(1R,3R,5R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;propane is sourced from PubChem (CID 159309721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).