N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline

C197H234N20O4S — CID 159492039

IUPACN-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline
SMILESCCCCc1ccc2c(c1)cc(C#CCNc1ccccc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(C)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccccc1)n2CC.CCn1c(C#CCNc2ccccc2)cc2cc(CCC3CCN(S(C)(=O)=O)CC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCC3COC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCCC(C)C)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCCCN(C)C)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCCCOC)ccc21
InChIInChI=1S/C27H33N3O2S.2C25H31N3.C25H30N2.C24H29N3.C24H26N2O.C24H28N2O.C23H26N2/c1-3-30-26(10-7-17-28-25-8-5-4-6-9-25)21-24-20-23(13-14-27(24)30)12-11-22-15-18-29(19-16-22)33(2,31)32;1-5-27(6-2)19-21-12-15-25-22(17-21)18-24(28(25)7-3)9-8-16-26-23-13-10-20(4)11-14-23;1-4-28-24(14-10-17-26-23-12-6-5-7-13-23)20-22-19-21(15-16-25(22)28)11-8-9-18-27(2)3;1-4-27-24(14-9-17-26-23-12-6-5-7-13-23)19-22-18-21(15-16-25(22)27)11-8-10-20(2)3;1-4-26(5-2)19-20-14-15-24-21(17-20)18-23(27(24)6-3)13-10-16-25-22-11-8-7-9-12-22;1-2-26-23(9-6-14-25-22-7-4-3-5-8-22)16-21-15-19(12-13-24(21)26)10-11-20-17-27-18-20;1-3-26-23(13-9-16-25-22-11-5-4-6-12-22)19-21-18-20(14-15-24(21)26)10-7-8-17-27-2;1-3-5-10-19-14-15-23-20(17-19)18-22(25(23)4-2)13-9-16-24-21-11-7-6-8-12-21/h4-6,8-9,13-14,20-22,28H,3,11-12,15-19H2,1-2H3;10-15,17-18,26H,5-7,16,19H2,1-4H3;5-7,12-13,15-16,19-20,26H,4,8-9,11,17-18H2,1-3H3;5-7,12-13,15-16,18-20,26H,4,8,10-11,17H2,1-3H3;7-9,11-12,14-15,17-18,25H,4-6,16,19H2,1-3H3;3-5,7-8,12-13,15-16,20,25H,2,10-11,14,17-18H2,1H3;4-6,11-12,14-15,18-19,25H,3,7-8,10,16-17H2,1-2H3;6-8,11-12,14-15,17-18,24H,3-5,10,16H2,1-2H3
InChIKeyLYHUENFXMOHYGT-UHFFFAOYSA-N
MW2978.24 g/mol
LogP41.35
Rot. Bonds56

About N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline

N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline (PubChem CID 159492039) has the molecular formula C197H234N20O4S and a molecular weight of 2978.24 g/mol. Its IUPAC name is N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline.

Molecular Properties

Compound NameN-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline
PubChem CID159492039
Molecular FormulaC197H234N20O4S
Molecular Weight2978.24 g/mol
Exact Mass2975.84
IUPAC NameN-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline
SMILESCCCCc1ccc2c(c1)cc(C#CCNc1ccccc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(C)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccccc1)n2CC.CCn1c(C#CCNc2ccccc2)cc2cc(CCC3CCN(S(C)(=O)=O)CC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCC3COC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCCC(C)C)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCCCN(C)C)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCCCOC)ccc21
InChIInChI=1S/C27H33N3O2S.2C25H31N3.C25H30N2.C24H29N3.C24H26N2O.C24H28N2O.C23H26N2/c1-3-30-26(10-7-17-28-25-8-5-4-6-9-25)21-24-20-23(13-14-27(24)30)12-11-22-15-18-29(19-16-22)33(2,31)32;1-5-27(6-2)19-21-12-15-25-22(17-21)18-24(28(25)7-3)9-8-16-26-23-13-10-20(4)11-14-23;1-4-28-24(14-10-17-26-23-12-6-5-7-13-23)20-22-19-21(15-16-25(22)28)11-8-9-18-27(2)3;1-4-27-24(14-9-17-26-23-12-6-5-7-13-23)19-22-18-21(15-16-25(22)27)11-8-10-20(2)3;1-4-26(5-2)19-20-14-15-24-21(17-20)18-23(27(24)6-3)13-10-16-25-22-11-8-7-9-12-22;1-2-26-23(9-6-14-25-22-7-4-3-5-8-22)16-21-15-19(12-13-24(21)26)10-11-20-17-27-18-20;1-3-26-23(13-9-16-25-22-11-5-4-6-12-22)19-21-18-20(14-15-24(21)26)10-7-8-17-27-2;1-3-5-10-19-14-15-23-20(17-19)18-22(25(23)4-2)13-9-16-24-21-11-7-6-8-12-21/h4-6,8-9,13-14,20-22,28H,3,11-12,15-19H2,1-2H3;10-15,17-18,26H,5-7,16,19H2,1-4H3;5-7,12-13,15-16,19-20,26H,4,8-9,11,17-18H2,1-3H3;5-7,12-13,15-16,18-20,26H,4,8,10-11,17H2,1-3H3;7-9,11-12,14-15,17-18,25H,4-6,16,19H2,1-3H3;3-5,7-8,12-13,15-16,20,25H,2,10-11,14,17-18H2,1H3;4-6,11-12,14-15,18-19,25H,3,7-8,10,16-17H2,1-2H3;6-8,11-12,14-15,17-18,24H,3-5,10,16H2,1-2H3
InChIKeyLYHUENFXMOHYGT-UHFFFAOYSA-N
XLogP41.35
TPSA201.24 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds56
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002978.24
LogP ≤ 541.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline with MolForge

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Related Compounds

N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;6-tert-butyl-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]pyridin-3-amine;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline
CID 158331102
3-(9H-carbazol-3-yl)-9H-carbazole;4-ethyl-2,2-dimethyloctane;2-ethylhexyl 4-methylbenzenesulfonate;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;oxolane
CID 158724458
N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridin-3-amine;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline
CID 160180447
bis(N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]-1-methylpiperidin-4-amine);N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine
CID 160764541

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline?
The IUPAC name of N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline (CID 159492039) is N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline.
What is the SMILES notation for N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline?
The canonical SMILES for N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline is CCCCc1ccc2c(c1)cc(C#CCNc1ccccc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccc(C)cc1)n2CC.CCN(CC)Cc1ccc2c(c1)cc(C#CCNc1ccccc1)n2CC.CCn1c(C#CCNc2ccccc2)cc2cc(CCC3CCN(S(C)(=O)=O)CC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCC3COC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCCC(C)C)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCCCN(C)C)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CCCCOC)ccc21.
What is the InChIKey of N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline?
The InChIKey is LYHUENFXMOHYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2S.2C25H31N3.C25H30N2.C24H29N3.C24H26N2O.C24H28N2O.C23H26N2/c1-3-30-26(10-7-17-28-25-8-5-4-6-9-25)21-24-20-23(13-14-27(24)30)12-11-22-15-18-29(19-16-22)33(2,31)32;1-5-27(6-2)19-21-12-15-25-22(17-21)18-24(28(25)7-3)9-8-16-26-23-13-10-20(4)11-14-23;1-4-28-24(14-10-17-26-23-12-6-5-7-13-23)20-22-19-21(15-16-25(22)28)11-8-9-18-27(2)3;1-4-27-24(14-9-17-26-23-12-6-5-7-13-23)19-22-18-21(15-16-25(22)27)11-8-10-20(2)3;1-4-26(5-2)19-20-14-15-24-21(17-20)18-23(27(24)6-3)13-10-16-25-22-11-8-7-9-12-22;1-2-26-23(9-6-14-25-22-7-4-3-5-8-22)16-21-15-19(12-13-24(21)26)10-11-20-17-27-18-20;1-3-26-23(13-9-16-25-22-11-5-4-6-12-22)19-21-18-20(14-15-24(21)26)10-7-8-17-27-2;1-3-5-10-19-14-15-23-20(17-19)18-22(25(23)4-2)13-9-16-24-21-11-7-6-8-12-21/h4-6,8-9,13-14,20-22,28H,3,11-12,15-19H2,1-2H3;10-15,17-18,26H,5-7,16,19H2,1-4H3;5-7,12-13,15-16,19-20,26H,4,8-9,11,17-18H2,1-3H3;5-7,12-13,15-16,18-20,26H,4,8,10-11,17H2,1-3H3;7-9,11-12,14-15,17-18,25H,4-6,16,19H2,1-3H3;3-5,7-8,12-13,15-16,20,25H,2,10-11,14,17-18H2,1H3;4-6,11-12,14-15,18-19,25H,3,7-8,10,16-17H2,1-2H3;6-8,11-12,14-15,17-18,24H,3-5,10,16H2,1-2H3.
What are the key properties of N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline?
N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline has a molecular weight of 2978.24 g/mol, XLogP of 41.35, 56 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-butyl-1-ethylindol-2-yl)prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-(diethylaminomethyl)-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[5-[4-(dimethylamino)butyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methoxybutyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-(4-methylpentyl)indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline;N-[3-[1-ethyl-5-[2-(oxetan-3-yl)ethyl]indol-2-yl]prop-2-ynyl]aniline is sourced from PubChem (CID 159492039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).