[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine

C237H460N22O18 — CID 157185349

IUPAC[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCCOCCCNC(C)(C)C.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COc1ccccc1C(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cc1.CC(C)(C)Cc1cccc(COCCCNC(C)(C)C)c1.CC(C)(C)NCCOCCn1ccc(C(C)(C)C)n1.CC(NC(C)(C)C)c1ccc(C2CC[C@@H](OCC(C)(C)C)C2)cc1.CC(NC(C)(C)C)c1ccc(N2CC[C@H](OCC(C)(C)C)C2)cc1.C[C@@H](OCCCOCCNC(C)(C)C)C(C)(C)C.C[C@H](OCCCOCCNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H37NO.C21H36N2O.C20H32N2O2.C19H33NO.C17H37N3.C17H29NO.C16H35N3.C15H29N3O.3C15H31NO2.2C15H33NO2.C15H33NO/c1-16(23-22(5,6)7)17-8-10-18(11-9-17)19-12-13-20(14-19)24-15-21(2,3)4;1-16(22-21(5,6)7)17-8-10-18(11-9-17)23-13-12-19(14-23)24-15-20(2,3)4;1-19(2,3)14-24-17-10-8-7-9-16(17)18(23)22-12-11-15(13-22)21-20(4,5)6;1-18(2,3)14-16-9-7-10-17(13-16)15-21-12-8-11-20-19(4,5)6;1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;1-16(2,3)13-14-7-9-15(10-8-14)19-12-11-18-17(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;1-14(2,3)13-7-9-18(17-13)10-12-19-11-8-16-15(4,5)6;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(14(2,3)4)18-11-8-10-17-12-9-16-15(5,6)7;1-14(2,3)10-7-8-12-17-13-9-11-16-15(4,5)6/h8-11,16,19-20,23H,12-15H2,1-7H3;8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;7,9-10,13,20H,8,11-12,14-15H2,1-6H3;18H,7-15H2,1-6H3;7-10,18H,11-13H2,1-6H3;17H,7-14H2,1-6H3;7,9,16H,8,10-12H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*13,16H,8-12H2,1-7H3;16H,7-13H2,1-6H3/t16?,19?,20-;16?,19-;15-;;;;;;;;;2*13-;/m101........10./s1
InChIKeyAPBAVBSATSDFDM-KDQLDYBXSA-N
MW3906.42 g/mol
LogP50.14
Rot. Bonds85

About [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine

[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine (PubChem CID 157185349) has the molecular formula C237H460N22O18 and a molecular weight of 3906.42 g/mol. Its IUPAC name is [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine
PubChem CID157185349
Molecular FormulaC237H460N22O18
Molecular Weight3906.42 g/mol
Exact Mass3903.58
IUPAC Name[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCCOCCCNC(C)(C)C.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COc1ccccc1C(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cc1.CC(C)(C)Cc1cccc(COCCCNC(C)(C)C)c1.CC(C)(C)NCCOCCn1ccc(C(C)(C)C)n1.CC(NC(C)(C)C)c1ccc(C2CC[C@@H](OCC(C)(C)C)C2)cc1.CC(NC(C)(C)C)c1ccc(N2CC[C@H](OCC(C)(C)C)C2)cc1.C[C@@H](OCCCOCCNC(C)(C)C)C(C)(C)C.C[C@H](OCCCOCCNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H37NO.C21H36N2O.C20H32N2O2.C19H33NO.C17H37N3.C17H29NO.C16H35N3.C15H29N3O.3C15H31NO2.2C15H33NO2.C15H33NO/c1-16(23-22(5,6)7)17-8-10-18(11-9-17)19-12-13-20(14-19)24-15-21(2,3)4;1-16(22-21(5,6)7)17-8-10-18(11-9-17)23-13-12-19(14-23)24-15-20(2,3)4;1-19(2,3)14-24-17-10-8-7-9-16(17)18(23)22-12-11-15(13-22)21-20(4,5)6;1-18(2,3)14-16-9-7-10-17(13-16)15-21-12-8-11-20-19(4,5)6;1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;1-16(2,3)13-14-7-9-15(10-8-14)19-12-11-18-17(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;1-14(2,3)13-7-9-18(17-13)10-12-19-11-8-16-15(4,5)6;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(14(2,3)4)18-11-8-10-17-12-9-16-15(5,6)7;1-14(2,3)10-7-8-12-17-13-9-11-16-15(4,5)6/h8-11,16,19-20,23H,12-15H2,1-7H3;8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;7,9-10,13,20H,8,11-12,14-15H2,1-6H3;18H,7-15H2,1-6H3;7-10,18H,11-13H2,1-6H3;17H,7-14H2,1-6H3;7,9,16H,8,10-12H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*13,16H,8-12H2,1-7H3;16H,7-13H2,1-6H3/t16?,19?,20-;16?,19-;15-;;;;;;;;;2*13-;/m101........10./s1
InChIKeyAPBAVBSATSDFDM-KDQLDYBXSA-N
XLogP50.14
TPSA370.87 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds85
Heavy Atoms277
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003906.42
LogP ≤ 550.14
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine (CID 157185349) is [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine is CC(C)(C)CCCCOCCCNC(C)(C)C.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COc1ccccc1C(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cc1.CC(C)(C)Cc1cccc(COCCCNC(C)(C)C)c1.CC(C)(C)NCCOCCn1ccc(C(C)(C)C)n1.CC(NC(C)(C)C)c1ccc(C2CC[C@@H](OCC(C)(C)C)C2)cc1.CC(NC(C)(C)C)c1ccc(N2CC[C@H](OCC(C)(C)C)C2)cc1.C[C@@H](OCCCOCCNC(C)(C)C)C(C)(C)C.C[C@H](OCCCOCCNC(C)(C)C)C(C)(C)C.
What is the InChIKey of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is APBAVBSATSDFDM-KDQLDYBXSA-N. The full InChI is InChI=1S/C22H37NO.C21H36N2O.C20H32N2O2.C19H33NO.C17H37N3.C17H29NO.C16H35N3.C15H29N3O.3C15H31NO2.2C15H33NO2.C15H33NO/c1-16(23-22(5,6)7)17-8-10-18(11-9-17)19-12-13-20(14-19)24-15-21(2,3)4;1-16(22-21(5,6)7)17-8-10-18(11-9-17)23-13-12-19(14-23)24-15-20(2,3)4;1-19(2,3)14-24-17-10-8-7-9-16(17)18(23)22-12-11-15(13-22)21-20(4,5)6;1-18(2,3)14-16-9-7-10-17(13-16)15-21-12-8-11-20-19(4,5)6;1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;1-16(2,3)13-14-7-9-15(10-8-14)19-12-11-18-17(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;1-14(2,3)13-7-9-18(17-13)10-12-19-11-8-16-15(4,5)6;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(14(2,3)4)18-11-8-10-17-12-9-16-15(5,6)7;1-14(2,3)10-7-8-12-17-13-9-11-16-15(4,5)6/h8-11,16,19-20,23H,12-15H2,1-7H3;8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;7,9-10,13,20H,8,11-12,14-15H2,1-6H3;18H,7-15H2,1-6H3;7-10,18H,11-13H2,1-6H3;17H,7-14H2,1-6H3;7,9,16H,8,10-12H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*13,16H,8-12H2,1-7H3;16H,7-13H2,1-6H3/t16?,19?,20-;16?,19-;15-;;;;;;;;;2*13-;/m101........10./s1.
What are the key properties of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine?
[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 3906.42 g/mol, XLogP of 50.14, 85 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)cyclopentyl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 157185349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).