3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol

C78H102N12O7 — CID 161155172

IUPAC3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol
SMILESC=CCN(CC=C)CCc1c[nH]c2cccc(OC(C)=O)c12.CCCN(C)CCc1c[nH]c2ccc(O)cc12.CCN(C)CCc1c[nH]c2ccc(O)cc12.CN(C)CCc1c[nH]c2ccc(O)cc12.CNCCc1c[nH]c2ccc(O)cc12.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C18H22N2O2.C14H20N2O.C13H18N2O.C12H16N2O.C11H14N2O.C10H12N2O/c1-4-10-20(11-5-2)12-9-15-13-19-16-7-6-8-17(18(15)16)22-14(3)21;1-3-7-16(2)8-6-11-10-15-14-5-4-12(17)9-13(11)14;1-3-15(2)7-6-10-9-14-13-5-4-11(16)8-12(10)13;1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h4-8,13,19H,1-2,9-12H2,3H3;4-5,9-10,15,17H,3,6-8H2,1-2H3;4-5,8-9,14,16H,3,6-7H2,1-2H3;3-4,7-8,13,15H,5-6H2,1-2H3;2-3,6-7,12-14H,4-5H2,1H3;1-2,5-6,12-13H,3-4,11H2
InChIKeyUPEWSQUSFCHXFB-UHFFFAOYSA-N
MW1319.75 g/mol
LogP13.42
Rot. Bonds25

About 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol

3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol (PubChem CID 161155172) has the molecular formula C78H102N12O7 and a molecular weight of 1319.75 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol
PubChem CID161155172
Molecular FormulaC78H102N12O7
Molecular Weight1319.75 g/mol
Exact Mass1318.80
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol
SMILESC=CCN(CC=C)CCc1c[nH]c2cccc(OC(C)=O)c12.CCCN(C)CCc1c[nH]c2ccc(O)cc12.CCN(C)CCc1c[nH]c2ccc(O)cc12.CN(C)CCc1c[nH]c2ccc(O)cc12.CNCCc1c[nH]c2ccc(O)cc12.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C18H22N2O2.C14H20N2O.C13H18N2O.C12H16N2O.C11H14N2O.C10H12N2O/c1-4-10-20(11-5-2)12-9-15-13-19-16-7-6-8-17(18(15)16)22-14(3)21;1-3-7-16(2)8-6-11-10-15-14-5-4-12(17)9-13(11)14;1-3-15(2)7-6-10-9-14-13-5-4-11(16)8-12(10)13;1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h4-8,13,19H,1-2,9-12H2,3H3;4-5,9-10,15,17H,3,6-8H2,1-2H3;4-5,8-9,14,16H,3,6-7H2,1-2H3;3-4,7-8,13,15H,5-6H2,1-2H3;2-3,6-7,12-14H,4-5H2,1H3;1-2,5-6,12-13H,3-4,11H2
InChIKeyUPEWSQUSFCHXFB-UHFFFAOYSA-N
XLogP13.42
TPSA273.20 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001319.75
LogP ≤ 513.42
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol?
The IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol (CID 161155172) is 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol is C=CCN(CC=C)CCc1c[nH]c2cccc(OC(C)=O)c12.CCCN(C)CCc1c[nH]c2ccc(O)cc12.CCN(C)CCc1c[nH]c2ccc(O)cc12.CN(C)CCc1c[nH]c2ccc(O)cc12.CNCCc1c[nH]c2ccc(O)cc12.NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol?
The InChIKey is UPEWSQUSFCHXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.C14H20N2O.C13H18N2O.C12H16N2O.C11H14N2O.C10H12N2O/c1-4-10-20(11-5-2)12-9-15-13-19-16-7-6-8-17(18(15)16)22-14(3)21;1-3-7-16(2)8-6-11-10-15-14-5-4-12(17)9-13(11)14;1-3-15(2)7-6-10-9-14-13-5-4-11(16)8-12(10)13;1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h4-8,13,19H,1-2,9-12H2,3H3;4-5,9-10,15,17H,3,6-8H2,1-2H3;4-5,8-9,14,16H,3,6-7H2,1-2H3;3-4,7-8,13,15H,5-6H2,1-2H3;2-3,6-7,12-14H,4-5H2,1H3;1-2,5-6,12-13H,3-4,11H2.
What are the key properties of 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol?
3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol has a molecular weight of 1319.75 g/mol, XLogP of 13.42, 25 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 161155172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).