(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone

C25H37NO — CID 171939510

About (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone (PubChem CID 171939510) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone.

Molecular Properties

• Compound Name: (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone
• PubChem CID: 171939510
• Molecular Formula: C25H37NO
• Molecular Weight: 367.58 g/mol
• Exact Mass: 367.29
• IUPAC Name: (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone
• SMILES: Cc1cc2c(cc1C(=O)C1CC3CCCC(C1)N3C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C25H37NO/c1-16-12-21-22(25(4,5)11-10-24(21,2)3)15-20(16)23(27)17-13-18-8-7-9-19(14-17)26(18)6/h12,15,17-19H,7-11,13-14H2,1-6H3
• InChIKey: HTULWXJZJQPYNY-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.58
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone?

The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone (CID 171939510) is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone.

What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone?

The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone is Cc1cc2c(cc1C(=O)C1CC3CCCC(C1)N3C)C(C)(C)CCC2(C)C.

What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone?

The InChIKey is HTULWXJZJQPYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO/c1-16-12-21-22(25(4,5)11-10-24(21,2)3)15-20(16)23(27)17-13-18-8-7-9-19(14-17)26(18)6/h12,15,17-19H,7-11,13-14H2,1-6H3.

What are the key properties of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone?

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone has a molecular weight of 367.58 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone is sourced from PubChem (CID 171939510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).