3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine

C119H151F6N19O5 — CID 167557968

About 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine

3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine (PubChem CID 167557968) has the molecular formula C119H151F6N19O5 and a molecular weight of 2041.63 g/mol. Its IUPAC name is 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine.

Molecular Properties

• Compound Name: 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine
• PubChem CID: 167557968
• Molecular Formula: C119H151F6N19O5
• Molecular Weight: 2041.63 g/mol
• Exact Mass: 2040.20
• IUPAC Name: 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine
• SMILES: CC(=O)N(C)c1ccc2c3c([nH]c2c1)CCN(C)CC3.CC(=O)Nc1ccc2c3c([nH]c2c1)CCN(C)CC3.CC(C)Oc1ccc2c3c([nH]c2c1)CCN(C)CC3.CN1CCc2[nH]c3cc(C(F)(F)F)ccc3c2CC1.CN1CCc2[nH]c3cc(N(C)C)ccc3c2CC1.CN1CCc2[nH]c3cc(OC(F)(F)F)ccc3c2CC1.COc1cc2[nH]c3c(c2cc1C)CCN(C)CC3.Cc1ccc2c3c([nH]c2c1)CCN(C)CC3
• InChI: InChI=1S/C16H21N3O.C16H22N2O.C15H19N3O.C15H21N3.C15H20N2O.C14H15F3N2O.C14H15F3N2.C14H18N2/c1-11(20)19(3)12-4-5-13-14-6-8-18(2)9-7-15(14)17-16(13)10-12;1-11(2)19-12-4-5-13-14-6-8-18(3)9-7-15(14)17-16(13)10-12;1-10(19)16-11-3-4-12-13-5-7-18(2)8-6-14(13)17-15(12)9-11;1-17(2)11-4-5-12-13-6-8-18(3)9-7-14(13)16-15(12)10-11;1-10-8-12-11-4-6-17(2)7-5-13(11)16-14(12)9-15(10)18-3;1-19-6-4-11-10-3-2-9(20-14(15,16)17)8-13(10)18-12(11)5-7-19;1-19-6-4-11-10-3-2-9(14(15,16)17)8-13(10)18-12(11)5-7-19;1-10-3-4-11-12-5-7-16(2)8-6-13(12)15-14(11)9-10/h4-5,10,17H,6-9H2,1-3H3;4-5,10-11,17H,6-9H2,1-3H3;3-4,9,17H,5-8H2,1-2H3,(H,16,19);4-5,10,16H,6-9H2,1-3H3;8-9,16H,4-7H2,1-3H3;2-3,8,18H,4-7H2,1H3;2-3,8,18H,4-7H2,1H3;3-4,9,15H,5-8H2,1-2H3
• InChIKey: DGNMUCUJGXLVOA-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 232.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2041.63
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine?

The IUPAC name of 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine (CID 167557968) is 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine.

What is the SMILES notation for 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine?

The canonical SMILES for 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine is CC(=O)N(C)c1ccc2c3c([nH]c2c1)CCN(C)CC3.CC(=O)Nc1ccc2c3c([nH]c2c1)CCN(C)CC3.CC(C)Oc1ccc2c3c([nH]c2c1)CCN(C)CC3.CN1CCc2[nH]c3cc(C(F)(F)F)ccc3c2CC1.CN1CCc2[nH]c3cc(N(C)C)ccc3c2CC1.CN1CCc2[nH]c3cc(OC(F)(F)F)ccc3c2CC1.COc1cc2[nH]c3c(c2cc1C)CCN(C)CC3.Cc1ccc2c3c([nH]c2c1)CCN(C)CC3.

What is the InChIKey of 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine?

The InChIKey is DGNMUCUJGXLVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.C16H22N2O.C15H19N3O.C15H21N3.C15H20N2O.C14H15F3N2O.C14H15F3N2.C14H18N2/c1-11(20)19(3)12-4-5-13-14-6-8-18(2)9-7-15(14)17-16(13)10-12;1-11(2)19-12-4-5-13-14-6-8-18(3)9-7-15(14)17-16(13)10-12;1-10(19)16-11-3-4-12-13-5-7-18(2)8-6-14(13)17-15(12)9-11;1-17(2)11-4-5-12-13-6-8-18(3)9-7-14(13)16-15(12)10-11;1-10-8-12-11-4-6-17(2)7-5-13(11)16-14(12)9-15(10)18-3;1-19-6-4-11-10-3-2-9(20-14(15,16)17)8-13(10)18-12(11)5-7-19;1-19-6-4-11-10-3-2-9(14(15,16)17)8-13(10)18-12(11)5-7-19;1-10-3-4-11-12-5-7-16(2)8-6-13(12)15-14(11)9-10/h4-5,10,17H,6-9H2,1-3H3;4-5,10-11,17H,6-9H2,1-3H3;3-4,9,17H,5-8H2,1-2H3,(H,16,19);4-5,10,16H,6-9H2,1-3H3;8-9,16H,4-7H2,1-3H3;2-3,8,18H,4-7H2,1H3;2-3,8,18H,4-7H2,1H3;3-4,9,15H,5-8H2,1-2H3.

What are the key properties of 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine?

3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine has a molecular weight of 2041.63 g/mol, XLogP of 20.92, 7 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine is sourced from PubChem (CID 167557968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).