N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane

C311H528N24O22S — CID 158191995

IUPACN-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC(C)(C)CCCCCOc1ccc(C(C)(C)C)nc1.CC(C)(C)CCCOC1CCN(CCC(C)(C)C)CC1.CC(C)(C)CCCS(=O)(=O)c1ccc(OCC(C)(C)C)cc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)CCc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COCC#CC#CCNC(C)(C)C.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NCC#CC#CCOC(C)(C)C.CC(C)(C)NCCCOc1ccc(C(C)(C)C)nc1.CC(NC(C)(C)C)c1ccc(C#CC#CCOCC(C)(C)C)cc1.CC(NC(C)(C)C)c1ccc(C#CCOCCCOCC(C)(C)C)cc1.C[C@@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1.C[C@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C23H37NO2.C22H31NO.2C20H33NO.2C19H32N2O.2C18H30N2O2.C18H37NO.C18H31NO.C18H30O3S.C17H28N2O.3C16H28N2O.C15H25NO.C14H23NO.2C2H6/c1-19(24-23(5,6)7)21-13-11-20(12-14-21)10-8-15-25-16-9-17-26-18-22(2,3)4;1-18(23-22(5,6)7)20-14-12-19(13-15-20)11-9-8-10-16-24-17-21(2,3)4;2*1-19(2,3)11-10-15-8-7-9-17(12-15)22-18-13-16(14-18)21-20(4,5)6;2*1-18(2,3)10-9-14-7-8-17(20-13-14)22-16-11-15(12-16)21-19(4,5)6;2*1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-17(2,3)10-7-15-20-16-8-12-19(13-9-16)14-11-18(4,5)6;1-17(2,3)12-8-7-9-13-20-15-10-11-16(19-14-15)18(4,5)6;1-17(2,3)12-7-13-22(19,20)16-10-8-15(9-11-16)21-14-18(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;2*1-12(11-18-16(5,6)7)19-14-10-13(8-9-17-14)15(2,3)4;1-15(2,3)14-9-8-13(12-17-14)19-11-7-10-18-16(4,5)6;1-14(2,3)13-17-12-10-8-7-9-11-16-15(4,5)6;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6;2*1-2/h11-14,19,24H,9,15-18H2,1-7H3;12-15,18,23H,16-17H2,1-7H3;2*7-9,12,16,18,21H,10-11,13-14H2,1-6H3;2*7-8,13,15-16,21H,9-12H2,1-6H3;2*7-8,11,13,15,20H,9-10,12H2,1-6H3;16H,7-15H2,1-6H3;10-11,14H,7-9,12-13H2,1-6H3;8-11H,7,12-14H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;2*8-10,12,18H,11H2,1-7H3;8-9,12,18H,7,10-11H2,1-6H3;16H,11-13H2,1-6H3;15H,11-12H2,1-6H3;2*1-2H3/t;;;;;;;;;;;;2*12-;;;;;/m............10...../s1
InChIKeyFZWHWNKOCIGIEP-QEETUOJSSA-N
MW4987.86 g/mol
LogP71.54
Rot. Bonds81

About N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane

N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane (PubChem CID 158191995) has the molecular formula C311H528N24O22S and a molecular weight of 4987.86 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane
PubChem CID158191995
Molecular FormulaC311H528N24O22S
Molecular Weight4987.86 g/mol
Exact Mass4984.07
IUPAC NameN-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC(C)(C)CCCCCOc1ccc(C(C)(C)C)nc1.CC(C)(C)CCCOC1CCN(CCC(C)(C)C)CC1.CC(C)(C)CCCS(=O)(=O)c1ccc(OCC(C)(C)C)cc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)CCc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COCC#CC#CCNC(C)(C)C.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NCC#CC#CCOC(C)(C)C.CC(C)(C)NCCCOc1ccc(C(C)(C)C)nc1.CC(NC(C)(C)C)c1ccc(C#CC#CCOCC(C)(C)C)cc1.CC(NC(C)(C)C)c1ccc(C#CCOCCCOCC(C)(C)C)cc1.C[C@@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1.C[C@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C23H37NO2.C22H31NO.2C20H33NO.2C19H32N2O.2C18H30N2O2.C18H37NO.C18H31NO.C18H30O3S.C17H28N2O.3C16H28N2O.C15H25NO.C14H23NO.2C2H6/c1-19(24-23(5,6)7)21-13-11-20(12-14-21)10-8-15-25-16-9-17-26-18-22(2,3)4;1-18(23-22(5,6)7)20-14-12-19(13-15-20)11-9-8-10-16-24-17-21(2,3)4;2*1-19(2,3)11-10-15-8-7-9-17(12-15)22-18-13-16(14-18)21-20(4,5)6;2*1-18(2,3)10-9-14-7-8-17(20-13-14)22-16-11-15(12-16)21-19(4,5)6;2*1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-17(2,3)10-7-15-20-16-8-12-19(13-9-16)14-11-18(4,5)6;1-17(2,3)12-8-7-9-13-20-15-10-11-16(19-14-15)18(4,5)6;1-17(2,3)12-7-13-22(19,20)16-10-8-15(9-11-16)21-14-18(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;2*1-12(11-18-16(5,6)7)19-14-10-13(8-9-17-14)15(2,3)4;1-15(2,3)14-9-8-13(12-17-14)19-11-7-10-18-16(4,5)6;1-14(2,3)13-17-12-10-8-7-9-11-16-15(4,5)6;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6;2*1-2/h11-14,19,24H,9,15-18H2,1-7H3;12-15,18,23H,16-17H2,1-7H3;2*7-9,12,16,18,21H,10-11,13-14H2,1-6H3;2*7-8,13,15-16,21H,9-12H2,1-6H3;2*7-8,11,13,15,20H,9-10,12H2,1-6H3;16H,7-15H2,1-6H3;10-11,14H,7-9,12-13H2,1-6H3;8-11H,7,12-14H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;2*8-10,12,18H,11H2,1-7H3;8-9,12,18H,7,10-11H2,1-6H3;16H,11-13H2,1-6H3;15H,11-12H2,1-6H3;2*1-2H3/t;;;;;;;;;;;;2*12-;;;;;/m............10...../s1
InChIKeyFZWHWNKOCIGIEP-QEETUOJSSA-N
XLogP71.54
TPSA506.41 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds81
Heavy Atoms358
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004987.86
LogP ≤ 571.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Analyze N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane?
The IUPAC name of N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane (CID 158191995) is N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane.
What is the SMILES notation for N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane?
The canonical SMILES for N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane is CC.CC.CC(C)(C)CCCCCOc1ccc(C(C)(C)C)nc1.CC(C)(C)CCCOC1CCN(CCC(C)(C)C)CC1.CC(C)(C)CCCS(=O)(=O)c1ccc(OCC(C)(C)C)cc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)CCc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COCC#CC#CCNC(C)(C)C.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NCC#CC#CCOC(C)(C)C.CC(C)(C)NCCCOc1ccc(C(C)(C)C)nc1.CC(NC(C)(C)C)c1ccc(C#CC#CCOCC(C)(C)C)cc1.CC(NC(C)(C)C)c1ccc(C#CCOCCCOCC(C)(C)C)cc1.C[C@@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1.C[C@H](CNC(C)(C)C)Oc1cc(C(C)(C)C)ccn1.
What is the InChIKey of N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane?
The InChIKey is FZWHWNKOCIGIEP-QEETUOJSSA-N. The full InChI is InChI=1S/C23H37NO2.C22H31NO.2C20H33NO.2C19H32N2O.2C18H30N2O2.C18H37NO.C18H31NO.C18H30O3S.C17H28N2O.3C16H28N2O.C15H25NO.C14H23NO.2C2H6/c1-19(24-23(5,6)7)21-13-11-20(12-14-21)10-8-15-25-16-9-17-26-18-22(2,3)4;1-18(23-22(5,6)7)20-14-12-19(13-15-20)11-9-8-10-16-24-17-21(2,3)4;2*1-19(2,3)11-10-15-8-7-9-17(12-15)22-18-13-16(14-18)21-20(4,5)6;2*1-18(2,3)10-9-14-7-8-17(20-13-14)22-16-11-15(12-16)21-19(4,5)6;2*1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-17(2,3)10-7-15-20-16-8-12-19(13-9-16)14-11-18(4,5)6;1-17(2,3)12-8-7-9-13-20-15-10-11-16(19-14-15)18(4,5)6;1-17(2,3)12-7-13-22(19,20)16-10-8-15(9-11-16)21-14-18(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;2*1-12(11-18-16(5,6)7)19-14-10-13(8-9-17-14)15(2,3)4;1-15(2,3)14-9-8-13(12-17-14)19-11-7-10-18-16(4,5)6;1-14(2,3)13-17-12-10-8-7-9-11-16-15(4,5)6;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6;2*1-2/h11-14,19,24H,9,15-18H2,1-7H3;12-15,18,23H,16-17H2,1-7H3;2*7-9,12,16,18,21H,10-11,13-14H2,1-6H3;2*7-8,13,15-16,21H,9-12H2,1-6H3;2*7-8,11,13,15,20H,9-10,12H2,1-6H3;16H,7-15H2,1-6H3;10-11,14H,7-9,12-13H2,1-6H3;8-11H,7,12-14H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;2*8-10,12,18H,11H2,1-7H3;8-9,12,18H,7,10-11H2,1-6H3;16H,11-13H2,1-6H3;15H,11-12H2,1-6H3;2*1-2H3/t;;;;;;;;;;;;2*12-;;;;;/m............10...../s1.
What are the key properties of N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane?
N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane has a molecular weight of 4987.86 g/mol, XLogP of 71.54, 81 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-(6,6-dimethylheptoxy)pyridine;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentoxy)piperidine;1-(4,4-dimethylpentylsulfonyl)-4-(2,2-dimethylpropoxy)benzene;N-[1-[4-[5-(2,2-dimethylpropoxy)penta-1,3-diynyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]phenyl]ethyl]-2-methylpropan-2-amine;ethane is sourced from PubChem (CID 158191995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).