4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane

C230H379N21O14 — CID 159367141

IUPAC4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane
SMILESCC(C)(C)COCC#CC#CCNC(C)(C)C.CC(C)(C)COCCC(=O)N1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COCCN1CCC(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COCCN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)NCC#CC#CCOC(C)(C)C.CC(C)C.CC(NC(C)(C)C)c1ccc(-c2ccn(CCOCC(C)(C)C)c(=O)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2ncc(CCOCC(C)(C)C)cn2)cc1.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.CC(NC(C)(C)C)c1ccc(N2CCN(CCOCC(C)(C)C)CC2)cc1.CCCCCOc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C24H36N2O2.C23H39N3O2.C23H41N3O.C23H35N3O.C23H40N2O.C23H37NO2.C22H39N3O.C22H31NO.C15H25NO.2C14H23NO.C4H10/c1-18(25-24(5,6)7)19-8-10-20(11-9-19)21-12-13-26(22(27)16-21)14-15-28-17-23(2,3)4;1-22(2,3)18-28-16-11-21(27)26-14-12-25(13-15-26)20-9-7-19(8-10-20)17-24-23(4,5)6;1-19(24-23(5,6)7)20-8-10-21(11-9-20)26-14-12-25(13-15-26)16-17-27-18-22(2,3)4;1-17(26-23(5,6)7)19-8-10-20(11-9-19)21-24-14-18(15-25-21)12-13-27-16-22(2,3)4;1-22(2,3)18-26-16-15-25-13-11-21(12-14-25)20-9-7-19(8-10-20)17-24-23(4,5)6;1-19(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;1-21(2,3)18-26-16-15-24-11-13-25(14-12-24)20-9-7-19(8-10-20)17-23-22(4,5)6;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;1-14(2,3)13-17-12-10-8-7-9-11-16-15(4,5)6;1-5-6-7-10-16-12-8-9-13(15-11-12)14(2,3)4;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6;1-4(2)3/h8-13,16,18,25H,14-15,17H2,1-7H3;7-10,24H,11-18H2,1-6H3;8-11,19,24H,12-18H2,1-7H3;8-11,14-15,17,26H,12-13,16H2,1-7H3;7-10,21,24H,11-18H2,1-6H3;11-14,19,24H,9,15-18H2,1-7H3;7-10,23H,11-18H2,1-6H3;12-15,18,23H,16-17H2,1-7H3;16H,11-13H2,1-6H3;8-9,11H,5-7,10H2,1-4H3;15H,11-12H2,1-6H3;4H,1-3H3
InChIKeyLJGRZWSQGLMEQM-UHFFFAOYSA-N
MW3662.69 g/mol
LogP46.56
Rot. Bonds64

About 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane

4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane (PubChem CID 159367141) has the molecular formula C230H379N21O14 and a molecular weight of 3662.69 g/mol. Its IUPAC name is 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane.

Molecular Properties

Compound Name4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane
PubChem CID159367141
Molecular FormulaC230H379N21O14
Molecular Weight3662.69 g/mol
Exact Mass3659.96
IUPAC Name4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane
SMILESCC(C)(C)COCC#CC#CCNC(C)(C)C.CC(C)(C)COCCC(=O)N1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COCCN1CCC(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COCCN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)NCC#CC#CCOC(C)(C)C.CC(C)C.CC(NC(C)(C)C)c1ccc(-c2ccn(CCOCC(C)(C)C)c(=O)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2ncc(CCOCC(C)(C)C)cn2)cc1.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.CC(NC(C)(C)C)c1ccc(N2CCN(CCOCC(C)(C)C)CC2)cc1.CCCCCOc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C24H36N2O2.C23H39N3O2.C23H41N3O.C23H35N3O.C23H40N2O.C23H37NO2.C22H39N3O.C22H31NO.C15H25NO.2C14H23NO.C4H10/c1-18(25-24(5,6)7)19-8-10-20(11-9-19)21-12-13-26(22(27)16-21)14-15-28-17-23(2,3)4;1-22(2,3)18-28-16-11-21(27)26-14-12-25(13-15-26)20-9-7-19(8-10-20)17-24-23(4,5)6;1-19(24-23(5,6)7)20-8-10-21(11-9-20)26-14-12-25(13-15-26)16-17-27-18-22(2,3)4;1-17(26-23(5,6)7)19-8-10-20(11-9-19)21-24-14-18(15-25-21)12-13-27-16-22(2,3)4;1-22(2,3)18-26-16-15-25-13-11-21(12-14-25)20-9-7-19(8-10-20)17-24-23(4,5)6;1-19(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;1-21(2,3)18-26-16-15-24-11-13-25(14-12-24)20-9-7-19(8-10-20)17-23-22(4,5)6;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;1-14(2,3)13-17-12-10-8-7-9-11-16-15(4,5)6;1-5-6-7-10-16-12-8-9-13(15-11-12)14(2,3)4;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6;1-4(2)3/h8-13,16,18,25H,14-15,17H2,1-7H3;7-10,24H,11-18H2,1-6H3;8-11,19,24H,12-18H2,1-7H3;8-11,14-15,17,26H,12-13,16H2,1-7H3;7-10,21,24H,11-18H2,1-6H3;11-14,19,24H,9,15-18H2,1-7H3;7-10,23H,11-18H2,1-6H3;12-15,18,23H,16-17H2,1-7H3;16H,11-13H2,1-6H3;8-9,11H,5-7,10H2,1-4H3;15H,11-12H2,1-6H3;4H,1-3H3
InChIKeyLJGRZWSQGLMEQM-UHFFFAOYSA-N
XLogP46.56
TPSA331.48 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds64
Heavy Atoms265
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003662.69
LogP ≤ 546.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane?
The IUPAC name of 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane (CID 159367141) is 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane.
What is the SMILES notation for 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane?
The canonical SMILES for 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane is CC(C)(C)COCC#CC#CCNC(C)(C)C.CC(C)(C)COCCC(=O)N1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COCCN1CCC(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COCCN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)NCC#CC#CCOC(C)(C)C.CC(C)C.CC(NC(C)(C)C)c1ccc(-c2ccn(CCOCC(C)(C)C)c(=O)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2ncc(CCOCC(C)(C)C)cn2)cc1.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.CC(NC(C)(C)C)c1ccc(N2CCN(CCOCC(C)(C)C)CC2)cc1.CCCCCOc1ccc(C(C)(C)C)nc1.
What is the InChIKey of 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane?
The InChIKey is LJGRZWSQGLMEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2.C23H39N3O2.C23H41N3O.C23H35N3O.C23H40N2O.C23H37NO2.C22H39N3O.C22H31NO.C15H25NO.2C14H23NO.C4H10/c1-18(25-24(5,6)7)19-8-10-20(11-9-19)21-12-13-26(22(27)16-21)14-15-28-17-23(2,3)4;1-22(2,3)18-28-16-11-21(27)26-14-12-25(13-15-26)20-9-7-19(8-10-20)17-24-23(4,5)6;1-19(24-23(5,6)7)20-8-10-21(11-9-20)26-14-12-25(13-15-26)16-17-27-18-22(2,3)4;1-17(26-23(5,6)7)19-8-10-20(11-9-19)21-24-14-18(15-25-21)12-13-27-16-22(2,3)4;1-22(2,3)18-26-16-15-25-13-11-21(12-14-25)20-9-7-19(8-10-20)17-24-23(4,5)6;1-19(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;1-21(2,3)18-26-16-15-24-11-13-25(14-12-24)20-9-7-19(8-10-20)17-23-22(4,5)6;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;1-14(2,3)13-17-12-10-8-7-9-11-16-15(4,5)6;1-5-6-7-10-16-12-8-9-13(15-11-12)14(2,3)4;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6;1-4(2)3/h8-13,16,18,25H,14-15,17H2,1-7H3;7-10,24H,11-18H2,1-6H3;8-11,19,24H,12-18H2,1-7H3;8-11,14-15,17,26H,12-13,16H2,1-7H3;7-10,21,24H,11-18H2,1-6H3;11-14,19,24H,9,15-18H2,1-7H3;7-10,23H,11-18H2,1-6H3;12-15,18,23H,16-17H2,1-7H3;16H,11-13H2,1-6H3;8-9,11H,5-7,10H2,1-4H3;15H,11-12H2,1-6H3;4H,1-3H3.
What are the key properties of 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane?
4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane has a molecular weight of 3662.69 g/mol, XLogP of 46.56, 64 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;N-tert-butyl-6-(2,2-dimethylpropoxy)hexa-2,4-diyn-1-amine;N-tert-butyl-6-[(2-methylpropan-2-yl)oxy]hexa-2,4-diyn-1-amine;2-tert-butyl-5-pentoxypyridine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[[4-[1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;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;2-methylpropane is sourced from PubChem (CID 159367141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).