N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine

C130H138F2N20O13 — CID 162193949

About N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine

N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine (PubChem CID 162193949) has the molecular formula C130H138F2N20O13 and a molecular weight of 2226.66 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine
• PubChem CID: 162193949
• Molecular Formula: C130H138F2N20O13
• Molecular Weight: 2226.66 g/mol
• Exact Mass: 2225.07
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine
• SMILES: CN1CCC(c2c[nH]c3cc(Nc4ccc5c(c4)CNCC5)ccc23)CC1.CNC1CCc2c(c3ccc(NC4Cc5ccccc5C4)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCO5)nc3n2C)C1.Fc1ccc(Nc2ccc3c(c2)OCO3)cc1F.c1cc(N2CCOCC2)ccc1Nc1ccc2c(c1)OCO2.c1cc2c(cc1Nc1ccc3c(c1)OCO3)OCO2
• InChI: InChI=1S/C23H28N4.C22H26N4.C21H24N4O2.C20H22N4O2.C17H18N2O3.C14H11NO4.C13H9F2NO2/c1-27-10-7-17(8-11-27)22-15-25-23-13-20(4-5-21(22)23)26-19-3-2-16-6-9-24-14-18(16)12-19;1-23-16-7-9-20-19(13-16)18-8-10-21(25-22(18)26(20)2)24-17-11-14-5-3-4-6-15(14)12-17;1-22-13-3-6-17-16(11-13)15-5-8-20(24-21(15)25(17)2)23-14-4-7-18-19(12-14)27-10-9-26-18;1-21-12-3-6-16-15(9-12)14-5-8-19(23-20(14)24(16)2)22-13-4-7-17-18(10-13)26-11-25-17;1-4-15(19-7-9-20-10-8-19)5-2-13(1)18-14-3-6-16-17(11-14)22-12-21-16;1-3-11-13(18-7-16-11)5-9(1)15-10-2-4-12-14(6-10)19-8-17-12;14-10-3-1-8(5-11(10)15)16-9-2-4-12-13(6-9)18-7-17-12/h2-5,12-13,15,17,24-26H,6-11,14H2,1H3;3-6,8,10,16-17,23H,7,9,11-13H2,1-2H3,(H,24,25);4-5,7-8,12-13,22H,3,6,9-11H2,1-2H3,(H,23,24);4-5,7-8,10,12,21H,3,6,9,11H2,1-2H3,(H,22,23);1-6,11,18H,7-10,12H2;1-6,15H,7-8H2;1-6,16H,7H2
• InChIKey: ZQRPZTHKNNZTJD-UHFFFAOYSA-N
• XLogP: 23.20
• TPSA: 328.05 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2226.66
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine (CID 162193949) is N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine is CN1CCC(c2c[nH]c3cc(Nc4ccc5c(c4)CNCC5)ccc23)CC1.CNC1CCc2c(c3ccc(NC4Cc5ccccc5C4)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCO5)nc3n2C)C1.Fc1ccc(Nc2ccc3c(c2)OCO3)cc1F.c1cc(N2CCOCC2)ccc1Nc1ccc2c(c1)OCO2.c1cc2c(cc1Nc1ccc3c(c1)OCO3)OCO2.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine?

The InChIKey is ZQRPZTHKNNZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4.C22H26N4.C21H24N4O2.C20H22N4O2.C17H18N2O3.C14H11NO4.C13H9F2NO2/c1-27-10-7-17(8-11-27)22-15-25-23-13-20(4-5-21(22)23)26-19-3-2-16-6-9-24-14-18(16)12-19;1-23-16-7-9-20-19(13-16)18-8-10-21(25-22(18)26(20)2)24-17-11-14-5-3-4-6-15(14)12-17;1-22-13-3-6-17-16(11-13)15-5-8-20(24-21(15)25(17)2)23-14-4-7-18-19(12-14)27-10-9-26-18;1-21-12-3-6-16-15(9-12)14-5-8-19(23-20(14)24(16)2)22-13-4-7-17-18(10-13)26-11-25-17;1-4-15(19-7-9-20-10-8-19)5-2-13(1)18-14-3-6-16-17(11-14)22-12-21-16;1-3-11-13(18-7-16-11)5-9(1)15-10-2-4-12-14(6-10)19-8-17-12;14-10-3-1-8(5-11(10)15)16-9-2-4-12-13(6-9)18-7-17-12/h2-5,12-13,15,17,24-26H,6-11,14H2,1H3;3-6,8,10,16-17,23H,7,9,11-13H2,1-2H3,(H,24,25);4-5,7-8,12-13,22H,3,6,9-11H2,1-2H3,(H,23,24);4-5,7-8,10,12,21H,3,6,9,11H2,1-2H3,(H,22,23);1-6,11,18H,7-10,12H2;1-6,15H,7-8H2;1-6,16H,7H2.

What are the key properties of N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine?

N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine has a molecular weight of 2226.66 g/mol, XLogP of 23.20, 19 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-1,3-benzodioxol-5-amine;2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-(3,4-difluorophenyl)-1,3-benzodioxol-5-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1H-inden-2-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine;N-(4-morpholin-4-ylphenyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 162193949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).