2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane

C111H152N6 — CID 162295296

About 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane

2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane (PubChem CID 162295296) has the molecular formula C111H152N6 and a molecular weight of 1570.48 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane
• PubChem CID: 162295296
• Molecular Formula: C111H152N6
• Molecular Weight: 1570.48 g/mol
• Exact Mass: 1569.21
• IUPAC Name: 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane
• SMILES: Cc1cc(C)c(C)c(C2C(C)N3CC2(C)C(C)C3C)c1.Cc1cc(C)c(C)c(C2C(C)N3CC2(C)c2ccccc23)c1.Cc1cc(C)c(C)c(C2C(C)N3CCC2(C)C3)c1.Cc1cc(C)c(C)c(C2C(C)N3CCC2C3(C)C)c1.Cc1cc(C)c(C)c(C2C3CCN(C3)C2C)c1.Cc1cc(C)c(C)c(C2C3CN(c4ccccc43)C2C)c1
• InChI: InChI=1S/C21H25N.C20H23N.C19H29N.C18H27N.C17H25N.C16H23N/c1-13-10-14(2)15(3)17(11-13)20-16(4)22-12-21(20,5)18-8-6-7-9-19(18)22;1-12-9-13(2)14(3)17(10-12)20-15(4)21-11-18(20)16-7-5-6-8-19(16)21;1-11-8-12(2)13(3)17(9-11)18-16(6)20-10-19(18,7)14(4)15(20)5;1-11-9-12(2)13(3)15(10-11)17-14(4)19-8-7-16(17)18(19,5)6;1-11-8-12(2)13(3)15(9-11)16-14(4)18-7-6-17(16,5)10-18;1-10-7-11(2)12(3)15(8-10)16-13(4)17-6-5-14(16)9-17/h6-11,16,20H,12H2,1-5H3;5-10,15,18,20H,11H2,1-4H3;8-9,14-16,18H,10H2,1-7H3;9-10,14,16-17H,7-8H2,1-6H3;8-9,14,16H,6-7,10H2,1-5H3;7-8,13-14,16H,5-6,9H2,1-4H3
• InChIKey: MNXVZXDHQRSCST-UHFFFAOYSA-N
• XLogP: 25.45
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1570.48
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane?

The IUPAC name of 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane (CID 162295296) is 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane.

What is the SMILES notation for 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane?

The canonical SMILES for 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane is Cc1cc(C)c(C)c(C2C(C)N3CC2(C)C(C)C3C)c1.Cc1cc(C)c(C)c(C2C(C)N3CC2(C)c2ccccc23)c1.Cc1cc(C)c(C)c(C2C(C)N3CCC2(C)C3)c1.Cc1cc(C)c(C)c(C2C(C)N3CCC2C3(C)C)c1.Cc1cc(C)c(C)c(C2C3CCN(C3)C2C)c1.Cc1cc(C)c(C)c(C2C3CN(c4ccccc43)C2C)c1.

What is the InChIKey of 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane?

The InChIKey is MNXVZXDHQRSCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N.C20H23N.C19H29N.C18H27N.C17H25N.C16H23N/c1-13-10-14(2)15(3)17(11-13)20-16(4)22-12-21(20,5)18-8-6-7-9-19(18)22;1-12-9-13(2)14(3)17(10-12)20-15(4)21-11-18(20)16-7-5-6-8-19(16)21;1-11-8-12(2)13(3)17(9-11)18-16(6)20-10-19(18,7)14(4)15(20)5;1-11-9-12(2)13(3)15(10-11)17-14(4)19-8-7-16(17)18(19,5)6;1-11-8-12(2)13(3)15(9-11)16-14(4)18-7-6-17(16,5)10-18;1-10-7-11(2)12(3)15(8-10)16-13(4)17-6-5-14(16)9-17/h6-11,16,20H,12H2,1-5H3;5-10,15,18,20H,11H2,1-4H3;8-9,14-16,18H,10H2,1-7H3;9-10,14,16-17H,7-8H2,1-6H3;8-9,14,16H,6-7,10H2,1-5H3;7-8,13-14,16H,5-6,9H2,1-4H3.

What are the key properties of 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane?

2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 1570.48 g/mol, XLogP of 25.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 162295296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).