[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine

C222H391N21O4 — CID 164981080

IUPAC[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CC1CCN(Cc2ccc(CCNC(C)(C)C)cc2)CC1.CC(C)(C)CCc1ccc(CN2CCC(CC(C)(C)C)CC2)cc1.CC(C)(C)CN1CCC(C(=O)N2CCC(CNC(C)(C)C)C2)CC1.CC(C)(C)CN1CCC(C(=O)Nc2ccc(NC(C)(C)C)cc2)CC1.CC(CC(C)(C)C)c1ccc(CN2CCC(CC(C)(C)C)CC2)cc1.CC(CC(C)(C)C)c1ccc(CN2CCN(CC(C)(C)C)CC2)cc1.CC(c1ccc(CN2CCC(CC(C)(C)C)CC2)cc1)N(C)C(C)(C)C.CC(c1ccc(CN2CCN(CC(C)(C)C)CC2)cc1)N(C)C(C)(C)C.CCN(Cc1ccc(OCCCNC(C)(C)C)cc1)CC(C)(C)C.CN(Cc1ccc(OCCN(C)C(C)(C)C)cc1)CC(C)(C)C
InChIInChI=1S/C24H42N2.C24H41N.C23H41N3.2C23H40N2.C23H39N.C21H35N3O.C21H38N2O.C20H39N3O.C20H36N2O/c1-19(25(8)24(5,6)7)22-11-9-21(10-12-22)18-26-15-13-20(14-16-26)17-23(2,3)4;1-19(16-23(2,3)4)22-10-8-21(9-11-22)18-25-14-12-20(13-15-25)17-24(5,6)7;1-19(24(8)23(5,6)7)21-11-9-20(10-12-21)17-25-13-15-26(16-14-25)18-22(2,3)4;1-19(16-22(2,3)4)21-10-8-20(9-11-21)17-24-12-14-25(15-13-24)18-23(5,6)7;1-22(2,3)17-20-12-15-25(16-13-20)18-21-9-7-19(8-10-21)11-14-24-23(4,5)6;1-22(2,3)14-11-19-7-9-21(10-8-19)18-24-15-12-20(13-16-24)17-23(4,5)6;1-20(2,3)15-24-13-11-16(12-14-24)19(25)22-17-7-9-18(10-8-17)23-21(4,5)6;1-8-23(17-20(2,3)4)16-18-10-12-19(13-11-18)24-15-9-14-22-21(5,6)7;1-19(2,3)15-22-10-8-17(9-11-22)18(24)23-12-7-16(14-23)13-21-20(4,5)6;1-19(2,3)16-21(7)15-17-9-11-18(12-10-17)23-14-13-22(8)20(4,5)6/h9-12,19-20H,13-18H2,1-8H3;8-11,19-20H,12-18H2,1-7H3;9-12,19H,13-18H2,1-8H3;8-11,19H,12-18H2,1-7H3;7-10,20,24H,11-18H2,1-6H3;7-10,20H,11-18H2,1-6H3;7-10,16,23H,11-15H2,1-6H3,(H,22,25);10-13,22H,8-9,14-17H2,1-7H3;16-17,21H,7-15H2,1-6H3;9-12H,13-16H2,1-8H3
InChIKeyFMMIFFGSQXXSQA-UHFFFAOYSA-N
MW3418.71 g/mol
LogP51.17
Rot. Bonds55

About [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine

[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine (PubChem CID 164981080) has the molecular formula C222H391N21O4 and a molecular weight of 3418.71 g/mol. Its IUPAC name is [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine
PubChem CID164981080
Molecular FormulaC222H391N21O4
Molecular Weight3418.71 g/mol
Exact Mass3416.10
IUPAC Name[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CC1CCN(Cc2ccc(CCNC(C)(C)C)cc2)CC1.CC(C)(C)CCc1ccc(CN2CCC(CC(C)(C)C)CC2)cc1.CC(C)(C)CN1CCC(C(=O)N2CCC(CNC(C)(C)C)C2)CC1.CC(C)(C)CN1CCC(C(=O)Nc2ccc(NC(C)(C)C)cc2)CC1.CC(CC(C)(C)C)c1ccc(CN2CCC(CC(C)(C)C)CC2)cc1.CC(CC(C)(C)C)c1ccc(CN2CCN(CC(C)(C)C)CC2)cc1.CC(c1ccc(CN2CCC(CC(C)(C)C)CC2)cc1)N(C)C(C)(C)C.CC(c1ccc(CN2CCN(CC(C)(C)C)CC2)cc1)N(C)C(C)(C)C.CCN(Cc1ccc(OCCCNC(C)(C)C)cc1)CC(C)(C)C.CN(Cc1ccc(OCCN(C)C(C)(C)C)cc1)CC(C)(C)C
InChIInChI=1S/C24H42N2.C24H41N.C23H41N3.2C23H40N2.C23H39N.C21H35N3O.C21H38N2O.C20H39N3O.C20H36N2O/c1-19(25(8)24(5,6)7)22-11-9-21(10-12-22)18-26-15-13-20(14-16-26)17-23(2,3)4;1-19(16-23(2,3)4)22-10-8-21(9-11-22)18-25-14-12-20(13-15-25)17-24(5,6)7;1-19(24(8)23(5,6)7)21-11-9-20(10-12-21)17-25-13-15-26(16-14-25)18-22(2,3)4;1-19(16-22(2,3)4)21-10-8-20(9-11-21)17-24-12-14-25(15-13-24)18-23(5,6)7;1-22(2,3)17-20-12-15-25(16-13-20)18-21-9-7-19(8-10-21)11-14-24-23(4,5)6;1-22(2,3)14-11-19-7-9-21(10-8-19)18-24-15-12-20(13-16-24)17-23(4,5)6;1-20(2,3)15-24-13-11-16(12-14-24)19(25)22-17-7-9-18(10-8-17)23-21(4,5)6;1-8-23(17-20(2,3)4)16-18-10-12-19(13-11-18)24-15-9-14-22-21(5,6)7;1-19(2,3)15-22-10-8-17(9-11-22)18(24)23-12-7-16(14-23)13-21-20(4,5)6;1-19(2,3)16-21(7)15-17-9-11-18(12-10-17)23-14-13-22(8)20(4,5)6/h9-12,19-20H,13-18H2,1-8H3;8-11,19-20H,12-18H2,1-7H3;9-12,19H,13-18H2,1-8H3;8-11,19H,12-18H2,1-7H3;7-10,20,24H,11-18H2,1-6H3;7-10,20H,11-18H2,1-6H3;7-10,16,23H,11-15H2,1-6H3,(H,22,25);10-13,22H,8-9,14-17H2,1-7H3;16-17,21H,7-15H2,1-6H3;9-12H,13-16H2,1-8H3
InChIKeyFMMIFFGSQXXSQA-UHFFFAOYSA-N
XLogP51.17
TPSA164.59 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds55
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003418.71
LogP ≤ 551.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine (CID 164981080) is [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)CC1CCN(Cc2ccc(CCNC(C)(C)C)cc2)CC1.CC(C)(C)CCc1ccc(CN2CCC(CC(C)(C)C)CC2)cc1.CC(C)(C)CN1CCC(C(=O)N2CCC(CNC(C)(C)C)C2)CC1.CC(C)(C)CN1CCC(C(=O)Nc2ccc(NC(C)(C)C)cc2)CC1.CC(CC(C)(C)C)c1ccc(CN2CCC(CC(C)(C)C)CC2)cc1.CC(CC(C)(C)C)c1ccc(CN2CCN(CC(C)(C)C)CC2)cc1.CC(c1ccc(CN2CCC(CC(C)(C)C)CC2)cc1)N(C)C(C)(C)C.CC(c1ccc(CN2CCN(CC(C)(C)C)CC2)cc1)N(C)C(C)(C)C.CCN(Cc1ccc(OCCCNC(C)(C)C)cc1)CC(C)(C)C.CN(Cc1ccc(OCCN(C)C(C)(C)C)cc1)CC(C)(C)C.
What is the InChIKey of [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is FMMIFFGSQXXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2.C24H41N.C23H41N3.2C23H40N2.C23H39N.C21H35N3O.C21H38N2O.C20H39N3O.C20H36N2O/c1-19(25(8)24(5,6)7)22-11-9-21(10-12-22)18-26-15-13-20(14-16-26)17-23(2,3)4;1-19(16-23(2,3)4)22-10-8-21(9-11-22)18-25-14-12-20(13-15-25)17-24(5,6)7;1-19(24(8)23(5,6)7)21-11-9-20(10-12-21)17-25-13-15-26(16-14-25)18-22(2,3)4;1-19(16-22(2,3)4)21-10-8-20(9-11-21)17-24-12-14-25(15-13-24)18-23(5,6)7;1-22(2,3)17-20-12-15-25(16-13-20)18-21-9-7-19(8-10-21)11-14-24-23(4,5)6;1-22(2,3)14-11-19-7-9-21(10-8-19)18-24-15-12-20(13-16-24)17-23(4,5)6;1-20(2,3)15-24-13-11-16(12-14-24)19(25)22-17-7-9-18(10-8-17)23-21(4,5)6;1-8-23(17-20(2,3)4)16-18-10-12-19(13-11-18)24-15-9-14-22-21(5,6)7;1-19(2,3)15-22-10-8-17(9-11-22)18(24)23-12-7-16(14-23)13-21-20(4,5)6;1-19(2,3)16-21(7)15-17-9-11-18(12-10-17)23-14-13-22(8)20(4,5)6/h9-12,19-20H,13-18H2,1-8H3;8-11,19-20H,12-18H2,1-7H3;9-12,19H,13-18H2,1-8H3;8-11,19H,12-18H2,1-7H3;7-10,20,24H,11-18H2,1-6H3;7-10,20H,11-18H2,1-6H3;7-10,16,23H,11-15H2,1-6H3,(H,22,25);10-13,22H,8-9,14-17H2,1-7H3;16-17,21H,7-15H2,1-6H3;9-12H,13-16H2,1-8H3.
What are the key properties of [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine?
[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 3418.71 g/mol, XLogP of 51.17, 55 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 164981080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).