1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline

C150H195N25O8S2 — CID 159593535

About 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline

1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 159593535) has the molecular formula C150H195N25O8S2 and a molecular weight of 2540.51 g/mol. Its IUPAC name is 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline
• PubChem CID: 159593535
• Molecular Formula: C150H195N25O8S2
• Molecular Weight: 2540.51 g/mol
• Exact Mass: 2538.51
• IUPAC Name: 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline
• SMILES: CC(C)(C)c1ccc2c(c1)C(=O)NC1(CC1)C(=O)N2.CC(C)(C)c1ccc2c(c1)CCCN2.CC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.CC(C)(C)c1ncnc2sc(C(=O)NC3CCCNC3)cc12.CC(C)n1cnc2nc(C(C)(C)C)nc(N3CCC(N)C3)c21.CCC(=O)Cc1nc2ccccc2nc1C(C)(C)C.CCN(CC)CCCC(=O)c1ccc2cc(C(C)(C)C)ccc2c1.CNC(=O)c1ccccc1Nc1nc2ccccc2nc1C(C)(C)C
• InChI: InChI=1S/C22H31NO.C20H22N4O.C18H19N3O2S.C16H26N6.C16H22N4OS.C16H20N2O.C15H18N2O2.C14H18N2.C13H19N/c1-6-23(7-2)14-8-9-21(24)19-11-10-18-16-20(22(3,4)5)13-12-17(18)15-19;1-20(2,3)17-18(24-16-12-8-7-11-15(16)22-17)23-14-10-6-5-9-13(14)19(25)21-4;1-18(2,3)16-17(20-15-12-8-7-11-14(15)19-16)21-24(22,23)13-9-5-4-6-10-13;1-10(2)22-9-18-13-12(22)14(21-7-6-11(17)8-21)20-15(19-13)16(3,4)5;1-16(2,3)13-11-7-12(22-15(11)19-9-18-13)14(21)20-10-5-4-6-17-8-10;1-5-11(19)10-14-15(16(2,3)4)18-13-9-7-6-8-12(13)17-14;1-14(2,3)9-4-5-11-10(8-9)12(18)17-15(6-7-15)13(19)16-11;1-14(2,3)12-6-7-16-13-8-10(9-15)4-5-11(12)13;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h10-13,15-16H,6-9,14H2,1-5H3;5-12H,1-4H3,(H,21,25)(H,23,24);4-12H,1-3H3,(H,20,21);9-11H,6-8,17H2,1-5H3;7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18);4-8H,9,15H2,1-3H3;6-7,9,14H,4-5,8H2,1-3H3
• InChIKey: MKNQBHDYAOGLHD-UHFFFAOYSA-N
• XLogP: 29.89
• TPSA: 450.93 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2540.51
LogP ≤ 5	29.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline?

The IUPAC name of 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 159593535) is 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccc2c(c1)C(=O)NC1(CC1)C(=O)N2.CC(C)(C)c1ccc2c(c1)CCCN2.CC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.CC(C)(C)c1ncnc2sc(C(=O)NC3CCCNC3)cc12.CC(C)n1cnc2nc(C(C)(C)C)nc(N3CCC(N)C3)c21.CCC(=O)Cc1nc2ccccc2nc1C(C)(C)C.CCN(CC)CCCC(=O)c1ccc2cc(C(C)(C)C)ccc2c1.CNC(=O)c1ccccc1Nc1nc2ccccc2nc1C(C)(C)C.

What is the InChIKey of 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline?

The InChIKey is MKNQBHDYAOGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO.C20H22N4O.C18H19N3O2S.C16H26N6.C16H22N4OS.C16H20N2O.C15H18N2O2.C14H18N2.C13H19N/c1-6-23(7-2)14-8-9-21(24)19-11-10-18-16-20(22(3,4)5)13-12-17(18)15-19;1-20(2,3)17-18(24-16-12-8-7-11-15(16)22-17)23-14-10-6-5-9-13(14)19(25)21-4;1-18(2,3)16-17(20-15-12-8-7-11-14(15)19-16)21-24(22,23)13-9-5-4-6-10-13;1-10(2)22-9-18-13-12(22)14(21-7-6-11(17)8-21)20-15(19-13)16(3,4)5;1-16(2,3)13-11-7-12(22-15(11)19-9-18-13)14(21)20-10-5-4-6-17-8-10;1-5-11(19)10-14-15(16(2,3)4)18-13-9-7-6-8-12(13)17-14;1-14(2,3)9-4-5-11-10(8-9)12(18)17-15(6-7-15)13(19)16-11;1-14(2,3)12-6-7-16-13-8-10(9-15)4-5-11(12)13;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h10-13,15-16H,6-9,14H2,1-5H3;5-12H,1-4H3,(H,21,25)(H,23,24);4-12H,1-3H3,(H,20,21);9-11H,6-8,17H2,1-5H3;7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18);4-8H,9,15H2,1-3H3;6-7,9,14H,4-5,8H2,1-3H3.

What are the key properties of 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline?

1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 2540.51 g/mol, XLogP of 29.89, 21 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one;7-tert-butylspiro[1,4-dihydro-1,4-benzodiazepine-3,1'-cyclopropane]-2,5-dione;6-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159593535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).