1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine

C292H617N35O29S — CID 160500048

IUPAC1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCCOCCCNC(C)(C)C.CC(C)(C)CCCOCCNC(C)(C)C.CC(C)(C)CCN1CC(=O)N(CCCNC(C)(C)C)CC1=O.CC(C)(C)CCN1CC(=O)N(CCNC(C)(C)C)CC1=O.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)C(=O)C1.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1=O.CC(C)(C)CCN1CCN(CCNC(C)(C)C)C(=O)C1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1=O.CC(C)(C)CCOCCOCCNC(C)(C)C.CC(C)(C)COC/C=C\COCCNC(C)(C)C.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCCS(=O)(=O)CCNC(C)(C)C.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOCCCNC(C)(C)C.C[C@@H](OCCCOCCNC(C)(C)C)C(C)(C)C.C[C@H](OCCCOCCNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H33N3O2.2C17H35N3O.C17H37N3.C16H31N3O2.2C16H33N3O.C16H35N3.3C15H31NO2.2C15H33NO2.C15H31NO2.C15H33NO.C14H31NO3S.2C14H31NO2.C13H29NO/c1-16(2,3)8-11-20-13-14(21)19(12-15(20)22)10-7-9-18-17(4,5)6;1-16(2,3)8-11-19-12-13-20(15(21)14-19)10-7-9-18-17(4,5)6;1-16(2,3)8-11-20-13-12-19(14-15(20)21)10-7-9-18-17(4,5)6;1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;1-15(2,3)7-9-18-11-14(21)19(12-13(18)20)10-8-17-16(4,5)6;1-15(2,3)7-9-19-12-11-18(13-14(19)20)10-8-17-16(4,5)6;1-15(2,3)7-9-18-11-12-19(14(20)13-18)10-8-17-16(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(14(2,3)4)18-11-8-10-17-12-9-16-15(5,6)7;1-14(2,3)13-18-11-8-7-10-17-12-9-16-15(4,5)6;1-14(2,3)10-7-8-12-17-13-9-11-16-15(4,5)6;1-13(2,3)12-18-9-7-10-19(16,17)11-8-15-14(4,5)6;1-13(2,3)7-9-16-11-12-17-10-8-15-14(4,5)6;1-13(2,3)12-17-11-10-16-9-7-8-15-14(4,5)6;1-12(2,3)8-7-10-15-11-9-14-13(4,5)6/h18H,7-13H2,1-6H3;2*18H,7-14H2,1-6H3;18H,7-15H2,1-6H3;17H,7-12H2,1-6H3;2*17H,7-13H2,1-6H3;17H,7-14H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*13,16H,8-12H2,1-7H3;7-8,16H,9-13H2,1-6H3;16H,7-13H2,1-6H3;15H,7-12H2,1-6H3;2*15H,7-12H2,1-6H3;14H,7-11H2,1-6H3/b;;;;;;;;;;;;;8-7-;;;;;/t;;;;;;;;;;;2*13-;;;;;;/m...........10....../s1
InChIKeyQRQZTBDSLPUNEL-HMCJMXGWSA-N
MW5115.43 g/mol
LogP50.73
Rot. Bonds124

About 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine

1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine (PubChem CID 160500048) has the molecular formula C292H617N35O29S and a molecular weight of 5115.43 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine
PubChem CID160500048
Molecular FormulaC292H617N35O29S
Molecular Weight5115.43 g/mol
Exact Mass5111.76
IUPAC Name1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCCOCCCNC(C)(C)C.CC(C)(C)CCCOCCNC(C)(C)C.CC(C)(C)CCN1CC(=O)N(CCCNC(C)(C)C)CC1=O.CC(C)(C)CCN1CC(=O)N(CCNC(C)(C)C)CC1=O.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)C(=O)C1.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1=O.CC(C)(C)CCN1CCN(CCNC(C)(C)C)C(=O)C1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1=O.CC(C)(C)CCOCCOCCNC(C)(C)C.CC(C)(C)COC/C=C\COCCNC(C)(C)C.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCCS(=O)(=O)CCNC(C)(C)C.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOCCCNC(C)(C)C.C[C@@H](OCCCOCCNC(C)(C)C)C(C)(C)C.C[C@H](OCCCOCCNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H33N3O2.2C17H35N3O.C17H37N3.C16H31N3O2.2C16H33N3O.C16H35N3.3C15H31NO2.2C15H33NO2.C15H31NO2.C15H33NO.C14H31NO3S.2C14H31NO2.C13H29NO/c1-16(2,3)8-11-20-13-14(21)19(12-15(20)22)10-7-9-18-17(4,5)6;1-16(2,3)8-11-19-12-13-20(15(21)14-19)10-7-9-18-17(4,5)6;1-16(2,3)8-11-20-13-12-19(14-15(20)21)10-7-9-18-17(4,5)6;1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;1-15(2,3)7-9-18-11-14(21)19(12-13(18)20)10-8-17-16(4,5)6;1-15(2,3)7-9-19-12-11-18(13-14(19)20)10-8-17-16(4,5)6;1-15(2,3)7-9-18-11-12-19(14(20)13-18)10-8-17-16(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(14(2,3)4)18-11-8-10-17-12-9-16-15(5,6)7;1-14(2,3)13-18-11-8-7-10-17-12-9-16-15(4,5)6;1-14(2,3)10-7-8-12-17-13-9-11-16-15(4,5)6;1-13(2,3)12-18-9-7-10-19(16,17)11-8-15-14(4,5)6;1-13(2,3)7-9-16-11-12-17-10-8-15-14(4,5)6;1-13(2,3)12-17-11-10-16-9-7-8-15-14(4,5)6;1-12(2,3)8-7-10-15-11-9-14-13(4,5)6/h18H,7-13H2,1-6H3;2*18H,7-14H2,1-6H3;18H,7-15H2,1-6H3;17H,7-12H2,1-6H3;2*17H,7-13H2,1-6H3;17H,7-14H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*13,16H,8-12H2,1-7H3;7-8,16H,9-13H2,1-6H3;16H,7-13H2,1-6H3;15H,7-12H2,1-6H3;2*15H,7-12H2,1-6H3;14H,7-11H2,1-6H3/b;;;;;;;;;;;;;8-7-;;;;;/t;;;;;;;;;;;2*13-;;;;;;/m...........10....../s1
InChIKeyQRQZTBDSLPUNEL-HMCJMXGWSA-N
XLogP50.73
TPSA617.69 Ų
H-Bond Donors18
H-Bond Acceptors56
Rotatable Bonds124
Heavy Atoms357
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005115.43
LogP ≤ 550.73
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1056

Analyze 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine with MolForge

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What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine (CID 160500048) is 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)CCCCOCCCNC(C)(C)C.CC(C)(C)CCCOCCNC(C)(C)C.CC(C)(C)CCN1CC(=O)N(CCCNC(C)(C)C)CC1=O.CC(C)(C)CCN1CC(=O)N(CCNC(C)(C)C)CC1=O.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)C(=O)C1.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1=O.CC(C)(C)CCN1CCN(CCNC(C)(C)C)C(=O)C1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1=O.CC(C)(C)CCOCCOCCNC(C)(C)C.CC(C)(C)COC/C=C\COCCNC(C)(C)C.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCCS(=O)(=O)CCNC(C)(C)C.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOCCCNC(C)(C)C.C[C@@H](OCCCOCCNC(C)(C)C)C(C)(C)C.C[C@H](OCCCOCCNC(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is QRQZTBDSLPUNEL-HMCJMXGWSA-N. The full InChI is InChI=1S/C17H33N3O2.2C17H35N3O.C17H37N3.C16H31N3O2.2C16H33N3O.C16H35N3.3C15H31NO2.2C15H33NO2.C15H31NO2.C15H33NO.C14H31NO3S.2C14H31NO2.C13H29NO/c1-16(2,3)8-11-20-13-14(21)19(12-15(20)22)10-7-9-18-17(4,5)6;1-16(2,3)8-11-19-12-13-20(15(21)14-19)10-7-9-18-17(4,5)6;1-16(2,3)8-11-20-13-12-19(14-15(20)21)10-7-9-18-17(4,5)6;1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;1-15(2,3)7-9-18-11-14(21)19(12-13(18)20)10-8-17-16(4,5)6;1-15(2,3)7-9-19-12-11-18(13-14(19)20)10-8-17-16(4,5)6;1-15(2,3)7-9-18-11-12-19(14(20)13-18)10-8-17-16(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(14(2,3)4)18-11-8-10-17-12-9-16-15(5,6)7;1-14(2,3)13-18-11-8-7-10-17-12-9-16-15(4,5)6;1-14(2,3)10-7-8-12-17-13-9-11-16-15(4,5)6;1-13(2,3)12-18-9-7-10-19(16,17)11-8-15-14(4,5)6;1-13(2,3)7-9-16-11-12-17-10-8-15-14(4,5)6;1-13(2,3)12-17-11-10-16-9-7-8-15-14(4,5)6;1-12(2,3)8-7-10-15-11-9-14-13(4,5)6/h18H,7-13H2,1-6H3;2*18H,7-14H2,1-6H3;18H,7-15H2,1-6H3;17H,7-12H2,1-6H3;2*17H,7-13H2,1-6H3;17H,7-14H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*13,16H,8-12H2,1-7H3;7-8,16H,9-13H2,1-6H3;16H,7-13H2,1-6H3;15H,7-12H2,1-6H3;2*15H,7-12H2,1-6H3;14H,7-11H2,1-6H3/b;;;;;;;;;;;;;8-7-;;;;;/t;;;;;;;;;;;2*13-;;;;;;/m...........10....../s1.
What are the key properties of 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine?
1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 5115.43 g/mol, XLogP of 50.73, 124 rotatable bonds, 18 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-(3,3-dimethylbutyl)piperazin-2-one;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-(3,3-dimethylbutyl)piperazin-2-one;4-[3-(tert-butylamino)propyl]-1-(3,3-dimethylbutyl)piperazin-2-one;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[2-(4,4-dimethylpentoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 160500048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).