2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one

C271H499N21O27 — CID 158255400

IUPAC2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one
SMILESCC(C)(C)C1CCCC(OC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCOC(C)(C)C.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)NCCCOC(C)(C)C.CC(C)(C)OCCCOCCOc1ccccc1COc1ccc(C(C)(C)C)cc1.CC(C)(C)OCCCOc1ccc(-c2ccc(C(C)(C)C)cc2)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)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOCCOc1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1.CC(C)(C)OCCOc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(N2CCN(CCN3CCN(C(C)(C)C)CC3)CC2)cc1.CCC(=O)COCCCN1CCN(C)CC1.CCN1CC(COC)C1.CCN1CC(N2CCN(C)CC2)C1.CCOCC1CCN(CC)C1
InChIInChI=1S/C26H38O5.C26H38O4.C24H42N4.C23H32O2.C19H37NO.C17H34N2O2.C16H26O2.C15H30N2O.2C13H26N2.C12H24N2O2.C11H25NO.C10H21N3.2C10H22O2.C10H22O.C9H19NO.C7H15NO/c1-25(2,3)21-10-12-22(13-11-21)28-17-18-30-24-9-7-8-23(20-24)29-16-14-27-15-19-31-26(4,5)6;1-25(2,3)22-12-14-23(15-13-22)29-20-21-10-7-8-11-24(21)28-19-18-27-16-9-17-30-26(4,5)6;1-23(2,3)21-7-9-22(10-8-21)27-17-13-25(14-18-27)11-12-26-15-19-28(20-16-26)24(4,5)6;1-22(2,3)20-12-8-18(9-13-20)19-10-14-21(15-11-19)24-16-7-17-25-23(4,5)6;1-18(2,3)15-8-7-9-17(14-15)21-16-10-12-20(13-11-16)19(4,5)6;1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(4,5)6;1-15(2,3)13-8-7-9-14(12-13)17-10-11-18-16(4,5)6;1-13(2,3)17-11-15(12-17)9-16(10-15)7-8-18-14(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;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-3-10-6-5-9(7-10)8-11-4-2;1-3-8-4-7(5-8)6-9-2/h7-13,20H,14-19H2,1-6H3;7-8,10-15H,9,16-20H2,1-6H3;7-10H,11-20H2,1-6H3;8-15H,7,16-17H2,1-6H3;15-17H,7-14H2,1-6H3;7-14H2,1-6H3;7-9,12H,10-11H2,1-6H3;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;2*7-8H2,1-6H3;7-8H2,1-6H3;9H,3-8H2,1-2H3;7H,3-6H2,1-2H3/t;;;;;;;;2*10-,11-;;;;;;;;/m........10......../s1
InChIKeyGHFKFXYSRFFONB-NXURYMTFSA-N
MW4484.09 g/mol
LogP53.32
Rot. Bonds76

About 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one

2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);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 158255400) has the molecular formula C271H499N21O27 and a molecular weight of 4484.09 g/mol. Its IUPAC name is 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);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 Name2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one
PubChem CID158255400
Molecular FormulaC271H499N21O27
Molecular Weight4484.09 g/mol
Exact Mass4480.83
IUPAC Name2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one
SMILESCC(C)(C)C1CCCC(OC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCOC(C)(C)C.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)NCCCOC(C)(C)C.CC(C)(C)OCCCOCCOc1ccccc1COc1ccc(C(C)(C)C)cc1.CC(C)(C)OCCCOc1ccc(-c2ccc(C(C)(C)C)cc2)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)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOCCOc1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1.CC(C)(C)OCCOc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(N2CCN(CCN3CCN(C(C)(C)C)CC3)CC2)cc1.CCC(=O)COCCCN1CCN(C)CC1.CCN1CC(COC)C1.CCN1CC(N2CCN(C)CC2)C1.CCOCC1CCN(CC)C1
InChIInChI=1S/C26H38O5.C26H38O4.C24H42N4.C23H32O2.C19H37NO.C17H34N2O2.C16H26O2.C15H30N2O.2C13H26N2.C12H24N2O2.C11H25NO.C10H21N3.2C10H22O2.C10H22O.C9H19NO.C7H15NO/c1-25(2,3)21-10-12-22(13-11-21)28-17-18-30-24-9-7-8-23(20-24)29-16-14-27-15-19-31-26(4,5)6;1-25(2,3)22-12-14-23(15-13-22)29-20-21-10-7-8-11-24(21)28-19-18-27-16-9-17-30-26(4,5)6;1-23(2,3)21-7-9-22(10-8-21)27-17-13-25(14-18-27)11-12-26-15-19-28(20-16-26)24(4,5)6;1-22(2,3)20-12-8-18(9-13-20)19-10-14-21(15-11-19)24-16-7-17-25-23(4,5)6;1-18(2,3)15-8-7-9-17(14-15)21-16-10-12-20(13-11-16)19(4,5)6;1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(4,5)6;1-15(2,3)13-8-7-9-14(12-13)17-10-11-18-16(4,5)6;1-13(2,3)17-11-15(12-17)9-16(10-15)7-8-18-14(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;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-3-10-6-5-9(7-10)8-11-4-2;1-3-8-4-7(5-8)6-9-2/h7-13,20H,14-19H2,1-6H3;7-8,10-15H,9,16-20H2,1-6H3;7-10H,11-20H2,1-6H3;8-15H,7,16-17H2,1-6H3;15-17H,7-14H2,1-6H3;7-14H2,1-6H3;7-9,12H,10-11H2,1-6H3;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;2*7-8H2,1-6H3;7-8H2,1-6H3;9H,3-8H2,1-2H3;7H,3-6H2,1-2H3/t;;;;;;;;2*10-,11-;;;;;;;;/m........10......../s1
InChIKeyGHFKFXYSRFFONB-NXURYMTFSA-N
XLogP53.32
TPSA333.88 Ų
H-Bond Donors1
H-Bond Acceptors48
Rotatable Bonds76
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004484.09
LogP ≤ 553.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1048

Analyze 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);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 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one (CID 158255400) is 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);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 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);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 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one is CC(C)(C)C1CCCC(OC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCOC(C)(C)C.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)NCCCOC(C)(C)C.CC(C)(C)OCCCOCCOc1ccccc1COc1ccc(C(C)(C)C)cc1.CC(C)(C)OCCCOc1ccc(-c2ccc(C(C)(C)C)cc2)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)OCCOC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOCCOc1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1.CC(C)(C)OCCOc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(N2CCN(CCN3CCN(C(C)(C)C)CC3)CC2)cc1.CCC(=O)COCCCN1CCN(C)CC1.CCN1CC(COC)C1.CCN1CC(N2CCN(C)CC2)C1.CCOCC1CCN(CC)C1.
What is the InChIKey of 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);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 GHFKFXYSRFFONB-NXURYMTFSA-N. The full InChI is InChI=1S/C26H38O5.C26H38O4.C24H42N4.C23H32O2.C19H37NO.C17H34N2O2.C16H26O2.C15H30N2O.2C13H26N2.C12H24N2O2.C11H25NO.C10H21N3.2C10H22O2.C10H22O.C9H19NO.C7H15NO/c1-25(2,3)21-10-12-22(13-11-21)28-17-18-30-24-9-7-8-23(20-24)29-16-14-27-15-19-31-26(4,5)6;1-25(2,3)22-12-14-23(15-13-22)29-20-21-10-7-8-11-24(21)28-19-18-27-16-9-17-30-26(4,5)6;1-23(2,3)21-7-9-22(10-8-21)27-17-13-25(14-18-27)11-12-26-15-19-28(20-16-26)24(4,5)6;1-22(2,3)20-12-8-18(9-13-20)19-10-14-21(15-11-19)24-16-7-17-25-23(4,5)6;1-18(2,3)15-8-7-9-17(14-15)21-16-10-12-20(13-11-16)19(4,5)6;1-15(2,3)20-9-7-18-11-17(12-18)13-19(14-17)8-10-21-16(4,5)6;1-15(2,3)13-8-7-9-14(12-13)17-10-11-18-16(4,5)6;1-13(2,3)17-11-15(12-17)9-16(10-15)7-8-18-14(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;2*1-9(2,3)11-7-8-12-10(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-3-10-6-5-9(7-10)8-11-4-2;1-3-8-4-7(5-8)6-9-2/h7-13,20H,14-19H2,1-6H3;7-8,10-15H,9,16-20H2,1-6H3;7-10H,11-20H2,1-6H3;8-15H,7,16-17H2,1-6H3;15-17H,7-14H2,1-6H3;7-14H2,1-6H3;7-9,12H,10-11H2,1-6H3;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;2*7-8H2,1-6H3;7-8H2,1-6H3;9H,3-8H2,1-2H3;7H,3-6H2,1-2H3/t;;;;;;;;2*10-,11-;;;;;;;;/m........10......../s1.
What are the key properties of 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine;1-[3-(4-methylpiperazin-1-yl)propoxy]butan-2-one?
2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);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 4484.09 g/mol, XLogP of 53.32, 76 rotatable bonds, 1 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[[2-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethoxy]phenyl]methoxy]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;(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;3-(ethoxymethyl)-1-ethylpyrrolidine;1-(1-ethylazetidin-3-yl)-4-methylpiperazine;1-ethyl-3-(methoxymethyl)azetidine;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);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 158255400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).