2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine

C34H47NSi — CID 140878838

About 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine

2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine (PubChem CID 140878838) has the molecular formula C34H47NSi and a molecular weight of 497.84 g/mol. Its IUPAC name is 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine
• PubChem CID: 140878838
• Molecular Formula: C34H47NSi
• Molecular Weight: 497.84 g/mol
• Exact Mass: 497.35
• IUPAC Name: 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine
• SMILES: CC1CC2C=C3C(=CC2C1[Si](NC(C)(C)C)(c1ccccc1)c1ccccc1)C(C)(C)CCC3(C)C
• InChI: InChI=1S/C34H47NSi/c1-24-21-25-22-29-30(34(7,8)20-19-33(29,5)6)23-28(25)31(24)36(35-32(2,3)4,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,22-25,28,31,35H,19-21H2,1-8H3
• InChIKey: OZXGPXXNLUXMTM-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.84
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine?

The IUPAC name of 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine (CID 140878838) is 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine.

What is the SMILES notation for 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine?

The canonical SMILES for 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine is CC1CC2C=C3C(=CC2C1[Si](NC(C)(C)C)(c1ccccc1)c1ccccc1)C(C)(C)CCC3(C)C.

What is the InChIKey of 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine?

The InChIKey is OZXGPXXNLUXMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47NSi/c1-24-21-25-22-29-30(34(7,8)20-19-33(29,5)6)23-28(25)31(24)36(35-32(2,3)4,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-18,22-25,28,31,35H,19-21H2,1-8H3.

What are the key properties of 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine?

2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine has a molecular weight of 497.84 g/mol, XLogP of 7.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine is sourced from PubChem (CID 140878838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).