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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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

C207H433N29O17 — CID 159371306

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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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
SMILESCC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.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)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
InChIInChI=1S/C17H36N4O.C17H37N3O.3C17H34N2O2.C16H35N3O.C16H34N2O2.C15H30N2O.C15H32N2O.C14H31N3.2C13H26N2.2C10H22O2/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;2*1-9(2,3)11-7-8-12-10(4,5)6/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;2*7-8H2,1-6H3/t;;;;;;;;;;2*10-,11-;;/m..........10../s1
InChIKeyLJTXOSDSYCVWTR-XGWGCWDGSA-N
MW3600.93 g/mol
LogP31.42
Rot. Bonds58

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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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

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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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 (PubChem CID 159371306) has the molecular formula C207H433N29O17 and a molecular weight of 3600.93 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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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.

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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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
PubChem CID159371306
Molecular FormulaC207H433N29O17
Molecular Weight3600.93 g/mol
Exact Mass3598.39
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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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
SMILESCC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.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)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
InChIInChI=1S/C17H36N4O.C17H37N3O.3C17H34N2O2.C16H35N3O.C16H34N2O2.C15H30N2O.C15H32N2O.C14H31N3.2C13H26N2.2C10H22O2/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;2*1-9(2,3)11-7-8-12-10(4,5)6/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;2*7-8H2,1-6H3/t;;;;;;;;;;2*10-,11-;;/m..........10../s1
InChIKeyLJTXOSDSYCVWTR-XGWGCWDGSA-N
XLogP31.42
TPSA319.29 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds58
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003600.93
LogP ≤ 531.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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 with MolForge

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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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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?
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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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 (CID 159371306) 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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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.
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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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?
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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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 is CC(C)(C)CCC(=O)N1CCN(CCOC(C)(C)C)CC1.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)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.
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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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?
The InChIKey is LJTXOSDSYCVWTR-XGWGCWDGSA-N. The full InChI is InChI=1S/C17H36N4O.C17H37N3O.3C17H34N2O2.C16H35N3O.C16H34N2O2.C15H30N2O.C15H32N2O.C14H31N3.2C13H26N2.2C10H22O2/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;2*1-9(2,3)11-7-8-12-10(4,5)6/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;2*7-8H2,1-6H3/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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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?
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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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 has a molecular weight of 3600.93 g/mol, XLogP of 31.42, 58 rotatable bonds, 6 hydrogen bond donors, and 44 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;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;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;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 is sourced from PubChem (CID 159371306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).