7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane

C237H489F3N10O36 — CID 157445123

IUPAC7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane
SMILESCC(C)(C)CCC1CCN(CCOC(C)(C)C)C1.CC(C)(C)CCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)COCCCOCCCOCCCOC(C)(C)C.CC(C)(C)COCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)N1CCN(C2CC3(CCN(C(C)(C)C)CC3)C2)CC1.CC(C)(C)OC(CCN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCc1ccc(CN2CCN(C(C)(C)C)CC2)nn1
InChIInChI=1S/C21H44O5.C21H44O4.C20H39N3.C20H42O5.C18H32N4O.C18H38O4.C18H38O3.C17H36O4.C16H31F3N2O.C16H33NO.C15H32O2.C14H30O3.C12H26O.C11H24O2/c1-20(2,3)19-25-17-9-15-23-13-7-11-22-12-8-14-24-16-10-18-26-21(4,5)6;1-20(2,3)12-7-8-13-22-14-9-15-23-16-10-17-24-18-11-19-25-21(4,5)6;1-18(2,3)22-9-7-20(8-10-22)15-17(16-20)21-11-13-23(14-12-21)19(4,5)6;1-19(2,3)24-17-9-15-22-13-7-11-21-12-8-14-23-16-10-18-25-20(4,5)6;1-17(2,3)22-11-9-21(10-12-22)13-15-7-8-16(20-19-15)14-23-18(4,5)6;1-17(2,3)16-21-14-8-12-19-10-7-11-20-13-9-15-22-18(4,5)6;1-17(2,3)11-7-8-12-19-13-9-14-20-15-10-16-21-18(4,5)6;1-16(2,3)20-14-8-12-18-10-7-11-19-13-9-15-21-17(4,5)6;1-14(2,3)21-11-9-20(10-12-21)8-7-13(16(17,18)19)22-15(4,5)6;1-15(2,3)9-7-14-8-10-17(13-14)11-12-18-16(4,5)6;1-14(2,3)10-7-8-11-16-12-9-13-17-15(4,5)6;1-13(2,3)16-11-7-9-15-10-8-12-17-14(4,5)6;1-11(2,3)9-7-8-10-13-12(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6/h7-19H2,1-6H3;7-19H2,1-6H3;17H,7-16H2,1-6H3;7-18H2,1-6H3;7-8H,9-14H2,1-6H3;7-16H2,1-6H3;7-16H2,1-6H3;7-15H2,1-6H3;13H,7-12H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3
InChIKeyBSCZMFXJQOMUSF-UHFFFAOYSA-N
MW4112.55 g/mol
LogP55.16
Rot. Bonds124

About 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane

7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane (PubChem CID 157445123) has the molecular formula C237H489F3N10O36 and a molecular weight of 4112.55 g/mol. Its IUPAC name is 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane.

Molecular Properties

Compound Name7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane
PubChem CID157445123
Molecular FormulaC237H489F3N10O36
Molecular Weight4112.55 g/mol
Exact Mass4109.67
IUPAC Name7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane
SMILESCC(C)(C)CCC1CCN(CCOC(C)(C)C)C1.CC(C)(C)CCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)COCCCOCCCOCCCOC(C)(C)C.CC(C)(C)COCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)N1CCN(C2CC3(CCN(C(C)(C)C)CC3)C2)CC1.CC(C)(C)OC(CCN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCc1ccc(CN2CCN(C(C)(C)C)CC2)nn1
InChIInChI=1S/C21H44O5.C21H44O4.C20H39N3.C20H42O5.C18H32N4O.C18H38O4.C18H38O3.C17H36O4.C16H31F3N2O.C16H33NO.C15H32O2.C14H30O3.C12H26O.C11H24O2/c1-20(2,3)19-25-17-9-15-23-13-7-11-22-12-8-14-24-16-10-18-26-21(4,5)6;1-20(2,3)12-7-8-13-22-14-9-15-23-16-10-17-24-18-11-19-25-21(4,5)6;1-18(2,3)22-9-7-20(8-10-22)15-17(16-20)21-11-13-23(14-12-21)19(4,5)6;1-19(2,3)24-17-9-15-22-13-7-11-21-12-8-14-23-16-10-18-25-20(4,5)6;1-17(2,3)22-11-9-21(10-12-22)13-15-7-8-16(20-19-15)14-23-18(4,5)6;1-17(2,3)16-21-14-8-12-19-10-7-11-20-13-9-15-22-18(4,5)6;1-17(2,3)11-7-8-12-19-13-9-14-20-15-10-16-21-18(4,5)6;1-16(2,3)20-14-8-12-18-10-7-11-19-13-9-15-21-17(4,5)6;1-14(2,3)21-11-9-20(10-12-21)8-7-13(16(17,18)19)22-15(4,5)6;1-15(2,3)9-7-14-8-10-17(13-14)11-12-18-16(4,5)6;1-14(2,3)10-7-8-11-16-12-9-13-17-15(4,5)6;1-13(2,3)16-11-7-9-15-10-8-12-17-14(4,5)6;1-11(2,3)9-7-8-10-13-12(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6/h7-19H2,1-6H3;7-19H2,1-6H3;17H,7-16H2,1-6H3;7-18H2,1-6H3;7-8H,9-14H2,1-6H3;7-16H2,1-6H3;7-16H2,1-6H3;7-15H2,1-6H3;13H,7-12H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3
InChIKeyBSCZMFXJQOMUSF-UHFFFAOYSA-N
XLogP55.16
TPSA383.98 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds124
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004112.55
LogP ≤ 555.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane?
The IUPAC name of 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane (CID 157445123) is 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane.
What is the SMILES notation for 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane?
The canonical SMILES for 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane is CC(C)(C)CCC1CCN(CCOC(C)(C)C)C1.CC(C)(C)CCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOCCCOC(C)(C)C.CC(C)(C)CCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)COCCCOCCCOCCCOC(C)(C)C.CC(C)(C)COCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)N1CCN(C2CC3(CCN(C(C)(C)C)CC3)C2)CC1.CC(C)(C)OC(CCN1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(C)(C)OCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCCCOCCCOCCCOCCCOC(C)(C)C.CC(C)(C)OCc1ccc(CN2CCN(C(C)(C)C)CC2)nn1.
What is the InChIKey of 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane?
The InChIKey is BSCZMFXJQOMUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O5.C21H44O4.C20H39N3.C20H42O5.C18H32N4O.C18H38O4.C18H38O3.C17H36O4.C16H31F3N2O.C16H33NO.C15H32O2.C14H30O3.C12H26O.C11H24O2/c1-20(2,3)19-25-17-9-15-23-13-7-11-22-12-8-14-24-16-10-18-26-21(4,5)6;1-20(2,3)12-7-8-13-22-14-9-15-23-16-10-17-24-18-11-19-25-21(4,5)6;1-18(2,3)22-9-7-20(8-10-22)15-17(16-20)21-11-13-23(14-12-21)19(4,5)6;1-19(2,3)24-17-9-15-22-13-7-11-21-12-8-14-23-16-10-18-25-20(4,5)6;1-17(2,3)22-11-9-21(10-12-22)13-15-7-8-16(20-19-15)14-23-18(4,5)6;1-17(2,3)16-21-14-8-12-19-10-7-11-20-13-9-15-22-18(4,5)6;1-17(2,3)11-7-8-12-19-13-9-14-20-15-10-16-21-18(4,5)6;1-16(2,3)20-14-8-12-18-10-7-11-19-13-9-15-21-17(4,5)6;1-14(2,3)21-11-9-20(10-12-21)8-7-13(16(17,18)19)22-15(4,5)6;1-15(2,3)9-7-14-8-10-17(13-14)11-12-18-16(4,5)6;1-14(2,3)10-7-8-11-16-12-9-13-17-15(4,5)6;1-13(2,3)16-11-7-9-15-10-8-12-17-14(4,5)6;1-11(2,3)9-7-8-10-13-12(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6/h7-19H2,1-6H3;7-19H2,1-6H3;17H,7-16H2,1-6H3;7-18H2,1-6H3;7-8H,9-14H2,1-6H3;7-16H2,1-6H3;7-16H2,1-6H3;7-15H2,1-6H3;13H,7-12H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3.
What are the key properties of 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane?
7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane has a molecular weight of 4112.55 g/mol, XLogP of 55.16, 124 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-7-azaspiro[3.5]nonane;3-[(4-tert-butylpiperazin-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-tert-butyl-4-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butyl]piperazine;3-(3,3-dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;5,5-dimethyl-1-[3-[(2-methylpropan-2-yl)oxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]hexane;5,5-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]hexane;2,2-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2,2-dimethyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propoxy]propane;2-methyl-2-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propane;2-methyl-2-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]propane is sourced from PubChem (CID 157445123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).