(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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

C261H545N37O23 — CID 157394449

IUPAC(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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
SMILESCC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)NCCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.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)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O2.C18H37N3O2.C17H35N3O2.C17H37N3O.4C17H34N2O2.C16H35N3O.2C16H34N2O2.3C15H32N2O.C14H31N3.C14H30N2/c1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(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)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(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;2*1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);7-14H2,1-6H3,(H,18,21);18H,7-15H2,1-6H3;2*7-14H2,1-6H3;14-15H,7-13H2,1-6H3;7-14H2,1-6H3;17H,7-14H2,1-6H3;2*7-14H2,1-6H3;3*13,16H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3/t;;;;;;14-,15-;;;;;;;;;/m......0........./s1
InChIKeyBMKBAYXFIPAJLO-DYWQADPTSA-N
MW4570.47 g/mol
LogP38.19
Rot. Bonds82

About (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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

(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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 (PubChem CID 157394449) has the molecular formula C261H545N37O23 and a molecular weight of 4570.47 g/mol. Its IUPAC name is (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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.

Molecular Properties

Compound Name(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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
PubChem CID157394449
Molecular FormulaC261H545N37O23
Molecular Weight4570.47 g/mol
Exact Mass4567.26
IUPAC Name(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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
SMILESCC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)NCCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.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)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O2.C18H37N3O2.C17H35N3O2.C17H37N3O.4C17H34N2O2.C16H35N3O.2C16H34N2O2.3C15H32N2O.C14H31N3.C14H30N2/c1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(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)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(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;2*1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);7-14H2,1-6H3,(H,18,21);18H,7-15H2,1-6H3;2*7-14H2,1-6H3;14-15H,7-13H2,1-6H3;7-14H2,1-6H3;17H,7-14H2,1-6H3;2*7-14H2,1-6H3;3*13,16H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3/t;;;;;;14-,15-;;;;;;;;;/m......0........./s1
InChIKeyBMKBAYXFIPAJLO-DYWQADPTSA-N
XLogP38.19
TPSA426.01 Ų
H-Bond Donors8
H-Bond Acceptors57
Rotatable Bonds82
Heavy Atoms321
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004570.47
LogP ≤ 538.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1057

Analyze (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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?
The IUPAC name of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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 (CID 157394449) is (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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.
What is the SMILES notation for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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?
The canonical SMILES for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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 is CC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)NCCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OC1CCC(OCCN2CCN(C(C)(C)C)CC2)CC1.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)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1.
What is the InChIKey of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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?
The InChIKey is BMKBAYXFIPAJLO-DYWQADPTSA-N. The full InChI is InChI=1S/C20H40N2O2.C18H37N3O2.C17H35N3O2.C17H37N3O.4C17H34N2O2.C16H35N3O.2C16H34N2O2.3C15H32N2O.C14H31N3.C14H30N2/c1-19(2,3)22-13-11-21(12-14-22)15-16-23-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(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)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(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;2*1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);7-14H2,1-6H3,(H,18,21);18H,7-15H2,1-6H3;2*7-14H2,1-6H3;14-15H,7-13H2,1-6H3;7-14H2,1-6H3;17H,7-14H2,1-6H3;2*7-14H2,1-6H3;3*13,16H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3/t;;;;;;14-,15-;;;;;;;;;/m......0........./s1.
What are the key properties of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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?
(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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 has a molecular weight of 4570.47 g/mol, XLogP of 38.19, 82 rotatable bonds, 8 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);bis(1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;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 is sourced from PubChem (CID 157394449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).