bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one

C268H565N37O22 — CID 158454398

IUPACbis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one
SMILESC.CC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCOC(C)(C)C.CC(C)(C)CNC(=O)CN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)NCCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCCOC(C)(C)C.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CCC(=O)COCCCN1CCN(C)CC1.CCCCC1CCN(CC)C1.CCN1CC(COC)C1.CCN1CC(N2CCN(C)CC2)C1
InChIInChI=1S/C17H36N4O.C17H37N3O.3C17H34N2O2.C16H35N3O.C16H34N2O2.C15H30N2O.C15H32N2O.C14H31N3.2C13H26N2.C12H24N2O2.C11H25NO.C10H21N3.C10H21N.2C10H22O2.C10H22O.C7H15NO.CH4/c1-16(2,3)14-18-15(22)13-21-11-9-20(10-12-21)8-7-19-17(4,5)6;1-16(2,3)18-8-7-9-19-10-12-20(13-11-19)14-15-21-17(4,5)6;2*1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(4,5)6;1-16(2,3)8-7-15(20)19-11-9-18(10-12-19)13-14-21-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-13(2,3)17-11-15(12-17)9-16(10-15)7-8-18-14(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-3-12(15)11-16-10-4-5-14-8-6-13(2)7-9-14;1-10(2,3)12-8-7-9-13-11(4,5)6;1-3-12-8-10(9-12)13-6-4-11(2)5-7-13;1-3-5-6-10-7-8-11(4-2)9-10;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-3-8-4-7(5-8)6-9-2;/h19H,7-14H2,1-6H3,(H,18,22);18H,7-15H2,1-6H3;3*7-14H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;7-12H2,1-6H3;13,16H,7-12H2,1-6H3;15H,7-12H2,1-6H3;2*10-11H,7-9H2,1-6H3;3-11H2,1-2H3;12H,7-9H2,1-6H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;2*7-8H2,1-6H3;7-8H2,1-6H3;7H,3-6H2,1-2H3;1H4/t;;;;;;;;;;2*10-,11-;;;;;;;;;/m..........10........./s1
InChIKeyHEJUUGCPTGFIQD-DBBFXSMTSA-N
MW4658.71 g/mol
LogP41.53
Rot. Bonds80

About bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one

bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one (PubChem CID 158454398) has the molecular formula C268H565N37O22 and a molecular weight of 4658.71 g/mol. Its IUPAC name is bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one.

Molecular Properties

Compound Namebis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one
PubChem CID158454398
Molecular FormulaC268H565N37O22
Molecular Weight4658.71 g/mol
Exact Mass4655.42
IUPAC Namebis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one
SMILESC.CC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCOC(C)(C)C.CC(C)(C)CNC(=O)CN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)NCCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCCOC(C)(C)C.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CCC(=O)COCCCN1CCN(C)CC1.CCCCC1CCN(CC)C1.CCN1CC(COC)C1.CCN1CC(N2CCN(C)CC2)C1
InChIInChI=1S/C17H36N4O.C17H37N3O.3C17H34N2O2.C16H35N3O.C16H34N2O2.C15H30N2O.C15H32N2O.C14H31N3.2C13H26N2.C12H24N2O2.C11H25NO.C10H21N3.C10H21N.2C10H22O2.C10H22O.C7H15NO.CH4/c1-16(2,3)14-18-15(22)13-21-11-9-20(10-12-21)8-7-19-17(4,5)6;1-16(2,3)18-8-7-9-19-10-12-20(13-11-19)14-15-21-17(4,5)6;2*1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(4,5)6;1-16(2,3)8-7-15(20)19-11-9-18(10-12-19)13-14-21-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-13(2,3)17-11-15(12-17)9-16(10-15)7-8-18-14(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-3-12(15)11-16-10-4-5-14-8-6-13(2)7-9-14;1-10(2,3)12-8-7-9-13-11(4,5)6;1-3-12-8-10(9-12)13-6-4-11(2)5-7-13;1-3-5-6-10-7-8-11(4-2)9-10;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-3-8-4-7(5-8)6-9-2;/h19H,7-14H2,1-6H3,(H,18,22);18H,7-15H2,1-6H3;3*7-14H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;7-12H2,1-6H3;13,16H,7-12H2,1-6H3;15H,7-12H2,1-6H3;2*10-11H,7-9H2,1-6H3;3-11H2,1-2H3;12H,7-9H2,1-6H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;2*7-8H2,1-6H3;7-8H2,1-6H3;7H,3-6H2,1-2H3;1H4/t;;;;;;;;;;2*10-,11-;;;;;;;;;/m..........10........./s1
InChIKeyHEJUUGCPTGFIQD-DBBFXSMTSA-N
XLogP41.53
TPSA407.99 Ų
H-Bond Donors7
H-Bond Acceptors57
Rotatable Bonds80
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004658.71
LogP ≤ 541.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1057

Analyze bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one?
The IUPAC name of bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one (CID 158454398) is bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one.
What is the SMILES notation for bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one?
The canonical SMILES for bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one is C.CC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCOC(C)(C)C.CC(C)(C)CNC(=O)CN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)NCCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCCOC(C)(C)C.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CC2(C1)CN(CCOC(C)(C)C)C2.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CCC(=O)COCCCN1CCN(C)CC1.CCCCC1CCN(CC)C1.CCN1CC(COC)C1.CCN1CC(N2CCN(C)CC2)C1.
What is the InChIKey of bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one?
The InChIKey is HEJUUGCPTGFIQD-DBBFXSMTSA-N. The full InChI is InChI=1S/C17H36N4O.C17H37N3O.3C17H34N2O2.C16H35N3O.C16H34N2O2.C15H30N2O.C15H32N2O.C14H31N3.2C13H26N2.C12H24N2O2.C11H25NO.C10H21N3.C10H21N.2C10H22O2.C10H22O.C7H15NO.CH4/c1-16(2,3)14-18-15(22)13-21-11-9-20(10-12-21)8-7-19-17(4,5)6;1-16(2,3)18-8-7-9-19-10-12-20(13-11-19)14-15-21-17(4,5)6;2*1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(4,5)6;1-16(2,3)8-7-15(20)19-11-9-18(10-12-19)13-14-21-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-13(2,3)17-11-15(12-17)9-16(10-15)7-8-18-14(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;1-3-12(15)11-16-10-4-5-14-8-6-13(2)7-9-14;1-10(2,3)12-8-7-9-13-11(4,5)6;1-3-12-8-10(9-12)13-6-4-11(2)5-7-13;1-3-5-6-10-7-8-11(4-2)9-10;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-3-8-4-7(5-8)6-9-2;/h19H,7-14H2,1-6H3,(H,18,22);18H,7-15H2,1-6H3;3*7-14H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;7-12H2,1-6H3;13,16H,7-12H2,1-6H3;15H,7-12H2,1-6H3;2*10-11H,7-9H2,1-6H3;3-11H2,1-2H3;12H,7-9H2,1-6H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;2*7-8H2,1-6H3;7-8H2,1-6H3;7H,3-6H2,1-2H3;1H4/t;;;;;;;;;;2*10-,11-;;;;;;;;;/m..........10........./s1.
What are the key properties of bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one?
bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one has a molecular weight of 4658.71 g/mol, XLogP of 41.53, 80 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;3-butyl-1-ethylpyrrolidine;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;methane;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one is sourced from PubChem (CID 158454398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).