C234H458F6N38O5 — CID 159061354
[(3R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;4-[[(3R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;(3R)-2-tert-butyl-3,5-dimethyl-4-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane;(3R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine;4-[[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;4-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(3R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(3R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane (PubChem CID 159061354) has the molecular formula C234H458F6N38O5 and a molecular weight of 3998.49 g/mol. Its IUPAC name is [(3R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;4-[[(3R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;(3R)-2-tert-butyl-3,5-dimethyl-4-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane;(3R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine;4-[[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;4-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(3R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(3R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane.
| Compound Name | [(3R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;4-[[(3R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;(3R)-2-tert-butyl-3,5-dimethyl-4-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane;(3R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine;4-[[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;4-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(3R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(3R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane |
|---|---|
| PubChem CID | 159061354 |
| Molecular Formula | C234H458F6N38O5 |
| Molecular Weight | 3998.49 g/mol |
| Exact Mass | 3995.67 |
| IUPAC Name | [(3R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;4-[[(3R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;(3R)-2-tert-butyl-3,5-dimethyl-4-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane;(3R)-2-tert-butyl-3,5-dimethyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;1-[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine;4-[[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]morpholine;4-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(3R,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-2-yl]methyl]piperazine;1-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine;1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;1-[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-N,N-dimethylmethanamine;[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methanamine;4-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;4-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]morpholine;(3R)-2-tert-butyl-3-methyl-4-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(3R)-2-tert-butyl-3-methyl-5-(piperazin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane |
| SMILES | CC(C)CC1[C@@H](C)N(C(C)(C)C)C2CC12C.C[C@@H]1C(CN(C)C)C2CC2N1C(C)(C)C.C[C@@H]1C(CN)C2(C)CC2N1C(C)(C)C.C[C@@H]1C(CN)C2CC2N1C(C)(C)C.C[C@@H]1C(CN2CCNCC2)C2(C)CC2N1C(C)(C)C.C[C@@H]1C(CN2CCNCC2)C2CC2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)C2(C)CC2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)C2CC2N1C(C)(C)C.C[C@@H]1CC(F)(CN(C)C)CN1C(C)(C)C.C[C@@H]1CC(F)(CN)CN1C(C)(C)C.C[C@@H]1CC(F)(CN2CCNCC2)CN1C(C)(C)C.C[C@@H]1CC(F)(CN2CCOCC2)CN1C(C)(C)C.C[C@@H]1CC2(CN(C)C)CC2N1C(C)(C)C.C[C@@H]1CC2(CN3CCNCC3)CC2N1C(C)(C)C.C[C@@H]1CC2(CN3CCOCC3)CC2N1C(C)(C)C.C[C@@H]1C[C@@H](F)C(CN2CCNCC2)N1C(C)(C)C.C[C@@H]1C[C@@H](F)C(CN2CCOCC2)N1C(C)(C)C |
| InChI | InChI=1S/C16H31N3.C16H30N2O.2C15H29N3.2C15H28N2O.C15H29N.2C14H28FN3.2C14H27FN2O.2C13H26N2.C12H25FN2.C12H24N2.C11H22N2.C10H21FN2/c1-12-13(11-18-8-6-17-7-9-18)16(5)10-14(16)19(12)15(2,3)4;1-12-13(11-17-6-8-19-9-7-17)16(5)10-14(16)18(12)15(2,3)4;1-12-9-15(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;1-10(2)8-12-11(3)16(14(4,5)6)13-9-15(12,13)7;1-12-9-14(15,11-18(12)13(2,3)4)10-17-7-5-16-6-8-17;1-11-9-12(15)13(18(11)14(2,3)4)10-17-7-5-16-6-8-17;1-12-9-14(15,11-17(12)13(2,3)4)10-16-5-7-18-8-6-16;1-11-9-12(15)13(17(11)14(2,3)4)10-16-5-7-18-8-6-16;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;1-10-7-12(13,8-14(5)6)9-15(10)11(2,3)4;1-8-9(7-13)12(5)6-10(12)14(8)11(2,3)4;1-7-9(6-12)8-5-10(8)13(7)11(2,3)4;1-8-5-10(11,6-12)7-13(8)9(2,3)4/h12-14,17H,6-11H2,1-5H3;12-14H,6-11H2,1-5H3;12-13,16H,5-11H2,1-4H3;11-14,16H,5-10H2,1-4H3;12-13H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;10-13H,8-9H2,1-7H3;12,16H,5-11H2,1-4H3;11-13,16H,5-10H2,1-4H3;12H,5-11H2,1-4H3;11-13H,5-10H2,1-4H3;10-11H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;10H,7-9H2,1-6H3;8-10H,6-7,13H2,1-5H3;7-10H,5-6,12H2,1-4H3;8H,5-7,12H2,1-4H3/t2*12-,13?,14?,16?;12-,13?,15?;11-,12?,13?,14?;12-,13?,15?;11-,12?,13?,14?;11-,12?,13?,15?;12-,14?;11-,12-,13?;12-,14?;11-,12-,13?;10-,11?,13?;9-,10?,11?,12?;10-,12?;8-,9?,10?,12?;7-,8?,9?,10?;8-,10?/m11111111111111111/s1 |
| InChIKey | JYMVHERFSSJZSW-GAOXPTJVSA-N |
| XLogP | 32.74 |
| TPSA | 281.56 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 283 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3998.49 |
| LogP ≤ 5 | 32.74 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 43 |