2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]

C81H108N4 — CID 162296974

About 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]

2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] (PubChem CID 162296974) has the molecular formula C81H108N4 and a molecular weight of 1137.78 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine].

Molecular Properties

• Compound Name: 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]
• PubChem CID: 162296974
• Molecular Formula: C81H108N4
• Molecular Weight: 1137.78 g/mol
• Exact Mass: 1136.86
• IUPAC Name: 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]
• SMILES: Cc1ccccc1N1C(C)C2(CC1(C)C)C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)C2(CCCCC2)CC1(C)C.Cc1ccccc1N1c2ccccc2C(C)(C)C1C.Cc1ccccc1N1c2ccccc2C2(CCCCC2)C1C
• InChI: InChI=1S/C23H33N.C21H25N.C19H29N.C18H21N/c1-15-7-5-6-8-21(15)24-16(2)23(14-22(24,3)4)19-10-17-9-18(12-19)13-20(23)11-17;1-16-10-4-6-12-19(16)22-17(2)21(14-8-3-9-15-21)18-11-5-7-13-20(18)22;1-15-10-6-7-11-17(15)20-16(2)19(14-18(20,3)4)12-8-5-9-13-19;1-13-9-5-7-11-16(13)19-14(2)18(3,4)15-10-6-8-12-17(15)19/h5-8,16-20H,9-14H2,1-4H3;4-7,10-13,17H,3,8-9,14-15H2,1-2H3;6-7,10-11,16H,5,8-9,12-14H2,1-4H3;5-12,14H,1-4H3
• InChIKey: XRAUITQOBXMPBB-UHFFFAOYSA-N
• XLogP: 21.69
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.78
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

The IUPAC name of 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] (CID 162296974) is 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine].

What is the SMILES notation for 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

The canonical SMILES for 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] is Cc1ccccc1N1C(C)C2(CC1(C)C)C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)C2(CCCCC2)CC1(C)C.Cc1ccccc1N1c2ccccc2C(C)(C)C1C.Cc1ccccc1N1c2ccccc2C2(CCCCC2)C1C.

What is the InChIKey of 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

The InChIKey is XRAUITQOBXMPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N.C21H25N.C19H29N.C18H21N/c1-15-7-5-6-8-21(15)24-16(2)23(14-22(24,3)4)19-10-17-9-18(12-19)13-20(23)11-17;1-16-10-4-6-12-19(16)22-17(2)21(14-8-3-9-15-21)18-11-5-7-13-20(18)22;1-15-10-6-7-11-17(15)20-16(2)19(14-18(20,3)4)12-8-5-9-13-19;1-13-9-5-7-11-16(13)19-14(2)18(3,4)15-10-6-8-12-17(15)19/h5-8,16-20H,9-14H2,1-4H3;4-7,10-13,17H,3,8-9,14-15H2,1-2H3;6-7,10-11,16H,5,8-9,12-14H2,1-4H3;5-12,14H,1-4H3.

What are the key properties of 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] has a molecular weight of 1137.78 g/mol, XLogP of 21.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] is sourced from PubChem (CID 162296974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).