adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane

C79H100BBr3N8O7 — CID 157338797

About adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane

adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane (PubChem CID 157338797) has the molecular formula C79H100BBr3N8O7 and a molecular weight of 1524.24 g/mol. Its IUPAC name is adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane.

Molecular Properties

• Compound Name: adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane
• PubChem CID: 157338797
• Molecular Formula: C79H100BBr3N8O7
• Molecular Weight: 1524.24 g/mol
• Exact Mass: 1520.54
• IUPAC Name: adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane
• SMILES: BrB(Br)Br.COc1ccc2[nH]c(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2c1.COc1ccc2[nH]c(C(=O)O)cc2c1.COc1ccc2[nH]c(CNC34CC5CC(CC(C5)C3)C4)cc2c1.NC12CC3CC(CC(C3)C1)C2.Oc1ccc2[nH]c(CNC34CC5CC(CC(C5)C3)C4)cc2c1
• InChI: InChI=1S/C20H24N2O2.C20H26N2O.C19H24N2O.C10H9NO3.C10H17N.BBr3/c1-24-16-2-3-17-15(7-16)8-18(21-17)19(23)22-20-9-12-4-13(10-20)6-14(5-12)11-20;1-23-18-2-3-19-16(8-18)7-17(22-19)12-21-20-9-13-4-14(10-20)6-15(5-13)11-20;22-17-1-2-18-15(7-17)6-16(21-18)11-20-19-8-12-3-13(9-19)5-14(4-12)10-19;1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h2-3,7-8,12-14,21H,4-6,9-11H2,1H3,(H,22,23);2-3,7-8,13-15,21-22H,4-6,9-12H2,1H3;1-2,6-7,12-14,20-22H,3-5,8-11H2;2-5,11H,1H3,(H,12,13);7-9H,1-6,11H2
• InChIKey: BGDQKZAVFYTFBS-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 227.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.24
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane?

The IUPAC name of adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane (CID 157338797) is adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane.

What is the SMILES notation for adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane?

The canonical SMILES for adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane is BrB(Br)Br.COc1ccc2[nH]c(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2c1.COc1ccc2[nH]c(C(=O)O)cc2c1.COc1ccc2[nH]c(CNC34CC5CC(CC(C5)C3)C4)cc2c1.NC12CC3CC(CC(C3)C1)C2.Oc1ccc2[nH]c(CNC34CC5CC(CC(C5)C3)C4)cc2c1.

What is the InChIKey of adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane?

The InChIKey is BGDQKZAVFYTFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.C20H26N2O.C19H24N2O.C10H9NO3.C10H17N.BBr3/c1-24-16-2-3-17-15(7-16)8-18(21-17)19(23)22-20-9-12-4-13(10-20)6-14(5-12)11-20;1-23-18-2-3-19-16(8-18)7-17(22-19)12-21-20-9-13-4-14(10-20)6-15(5-13)11-20;22-17-1-2-18-15(7-17)6-16(21-18)11-20-19-8-12-3-13(9-19)5-14(4-12)10-19;1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h2-3,7-8,12-14,21H,4-6,9-11H2,1H3,(H,22,23);2-3,7-8,13-15,21-22H,4-6,9-12H2,1H3;1-2,6-7,12-14,20-22H,3-5,8-11H2;2-5,11H,1H3,(H,12,13);7-9H,1-6,11H2;.

What are the key properties of adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane?

adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane has a molecular weight of 1524.24 g/mol, XLogP of 17.99, 12 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for adamantan-1-amine;2-[(1-adamantylamino)methyl]-1H-indol-5-ol;N-(1-adamantyl)-5-methoxy-1H-indole-2-carboxamide;5-methoxy-1H-indole-2-carboxylic acid;N-[(5-methoxy-1H-indol-2-yl)methyl]adamantan-1-amine;tribromoborane is sourced from PubChem (CID 157338797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).