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

C151H174N20O2 — CID 160764541

IUPACbis(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
SMILESCCn1c(C#CCNc2ccc(C)cc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNCc3ccccc3)ccc21
InChIInChI=1S/C27H27N3.2C26H32N4.C26H31N3O.C25H29N3O.C21H23N3/c1-2-30-26(14-9-17-29-25-12-7-4-8-13-25)19-24-18-23(15-16-27(24)30)21-28-20-22-10-5-3-6-11-22;2*1-3-30-25(10-7-15-27-23-8-5-4-6-9-23)19-22-18-21(11-12-26(22)30)20-28-24-13-16-29(2)17-14-24;1-3-29-25(5-4-14-27-23-9-6-20(2)7-10-23)18-22-17-21(8-11-26(22)29)19-28-24-12-15-30-16-13-24;1-2-28-24(9-6-14-26-22-7-4-3-5-8-22)18-21-17-20(10-11-25(21)28)19-27-23-12-15-29-16-13-23;1-3-24-20(10-7-13-23-19-8-5-4-6-9-19)15-18-14-17(16-22-2)11-12-21(18)24/h3-8,10-13,15-16,18-19,28-29H,2,17,20-21H2,1H3;2*4-6,8-9,11-12,18-19,24,27-28H,3,13-17,20H2,1-2H3;6-11,17-18,24,27-28H,3,12-16,19H2,1-2H3;3-5,7-8,10-11,17-18,23,26-27H,2,12-16,19H2,1H3;4-6,8-9,11-12,14-15,22-23H,3,13,16H2,1-2H3
InChIKeyRYMWTVCBKXHEBX-UHFFFAOYSA-N
MW2301.19 g/mol
LogP26.97
Rot. Bonds36

About 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

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 (PubChem CID 160764541) has the molecular formula C151H174N20O2 and a molecular weight of 2301.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID160764541
Molecular FormulaC151H174N20O2
Molecular Weight2301.19 g/mol
Exact Mass2299.41
IUPAC Namebis(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
SMILESCCn1c(C#CCNc2ccc(C)cc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNCc3ccccc3)ccc21
InChIInChI=1S/C27H27N3.2C26H32N4.C26H31N3O.C25H29N3O.C21H23N3/c1-2-30-26(14-9-17-29-25-12-7-4-8-13-25)19-24-18-23(15-16-27(24)30)21-28-20-22-10-5-3-6-11-22;2*1-3-30-25(10-7-15-27-23-8-5-4-6-9-23)19-22-18-21(11-12-26(22)30)20-28-24-13-16-29(2)17-14-24;1-3-29-25(5-4-14-27-23-9-6-20(2)7-10-23)18-22-17-21(8-11-26(22)29)19-28-24-12-15-30-16-13-24;1-2-28-24(9-6-14-26-22-7-4-3-5-8-22)18-21-17-20(10-11-25(21)28)19-27-23-12-15-29-16-13-23;1-3-24-20(10-7-13-23-19-8-5-4-6-9-19)15-18-14-17(16-22-2)11-12-21(18)24/h3-8,10-13,15-16,18-19,28-29H,2,17,20-21H2,1H3;2*4-6,8-9,11-12,18-19,24,27-28H,3,13-17,20H2,1-2H3;6-11,17-18,24,27-28H,3,12-16,19H2,1-2H3;3-5,7-8,10-11,17-18,23,26-27H,2,12-16,19H2,1H3;4-6,8-9,11-12,14-15,22-23H,3,13,16H2,1-2H3
InChIKeyRYMWTVCBKXHEBX-UHFFFAOYSA-N
XLogP26.97
TPSA198.88 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002301.19
LogP ≤ 526.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-[3-[3-[3,5-Bis[9-(3-morpholin-4-ylpropyl)carbazol-3-yl]phenyl]carbazol-9-yl]propyl]morpholine
CID 172447714
N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]-2-[4-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methylamino]oxan-2-yl]-1-methylpiperidin-4-amine
CID 155459137
N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-1-methylpiperidin-4-amine;4-(1,1-difluoroethyl)-N-[3-(1-ethyl-5-propylindol-2-yl)prop-2-ynyl]aniline;N-[3-[1-ethyl-4-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]piperidin-4-ol;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]indol-2-yl]prop-2-ynyl]aniline
CID 158054574
N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline
CID 138625280
N-[3-[3-[(Z)-but-1-enyl]-2-ethylindol-1-yl]phenyl]-1-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]cyclohexa-1,5-dien-1-yl]-3-ethenyl-7-methyl-2-[(Z)-prop-1-enyl]indol-6-amine;ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 144062940
9-(Oxan-4-yl)-3-[9-(oxan-4-yl)carbazol-3-yl]carbazole
CID 145665907
9-[4-(4-Carbazol-9-ylphenyl)phenyl]-3-[3-(2-ethoxyethoxy)propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-ethoxyhexyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-[2-(2-methoxyethoxy)ethoxy]propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
CID 157217380
9-[4-[4-[3,6-Bis(3-butoxypropyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(3-butoxypropyl)carbazole;3,6-bis(3-butoxypropyl)-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-(3-butoxypropyl)-9-[4-[4-[3-(3-butoxypropyl)carbazol-9-yl]phenyl]phenyl]carbazole;3-(3-butoxypropyl)-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 157385684
3,6-Bis(prop-1-ynyl)-9-tetradecylcarbazole;50,52,55,58-tetra(tetradecyl)-50,52,55,58-tetrazatridecacyclo[43.3.1.12,6.13,48.19,13.112,15.114,18.121,25.124,27.126,30.133,37.136,39.138,42]hexaconta-1(48),2,4,6(60),9(59),10,12,14,16,18(57),21(56),22,24,26,28,30(54),33(53),34,36,38,40,42(51),45(49),46-tetracosaen-7,19,31,43-tetrayne
CID 157441387
N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
CID 157635585
N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-3-methylaniline;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-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-4-methylaniline;bis(N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine);N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine
CID 157714250
3-(2,3-Dimethylphenyl)-1-(4-fluorophenyl)-5-isocyanoindole;3-(2,3-dimethylphenyl)-5-isocyano-6-methyl-1-piperidin-4-ylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(oxan-4-yl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(oxolan-3-yl)indole;5-isocyano-3-(3-methylphenyl)-1-phenylindole
CID 157803937

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(C#CCNc2ccc(C)cc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCN(C)CC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNC3CCOCC3)ccc21.CCn1c(C#CCNc2ccccc2)cc2cc(CNCc3ccccc3)ccc21.
What is the InChIKey of 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?
The InChIKey is RYMWTVCBKXHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3.2C26H32N4.C26H31N3O.C25H29N3O.C21H23N3/c1-2-30-26(14-9-17-29-25-12-7-4-8-13-25)19-24-18-23(15-16-27(24)30)21-28-20-22-10-5-3-6-11-22;2*1-3-30-25(10-7-15-27-23-8-5-4-6-9-23)19-22-18-21(11-12-26(22)30)20-28-24-13-16-29(2)17-14-24;1-3-29-25(5-4-14-27-23-9-6-20(2)7-10-23)18-22-17-21(8-11-26(22)29)19-28-24-12-15-30-16-13-24;1-2-28-24(9-6-14-26-22-7-4-3-5-8-22)18-21-17-20(10-11-25(21)28)19-27-23-12-15-29-16-13-23;1-3-24-20(10-7-13-23-19-8-5-4-6-9-19)15-18-14-17(16-22-2)11-12-21(18)24/h3-8,10-13,15-16,18-19,28-29H,2,17,20-21H2,1H3;2*4-6,8-9,11-12,18-19,24,27-28H,3,13-17,20H2,1-2H3;6-11,17-18,24,27-28H,3,12-16,19H2,1-2H3;3-5,7-8,10-11,17-18,23,26-27H,2,12-16,19H2,1H3;4-6,8-9,11-12,14-15,22-23H,3,13,16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2301.19 g/mol, XLogP of 26.97, 36 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160764541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).