2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine

C25H51NOSSi — CID 164779479

About 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine

2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine (PubChem CID 164779479) has the molecular formula C25H51NOSSi and a molecular weight of 441.84 g/mol. Its IUPAC name is 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine
• PubChem CID: 164779479
• Molecular Formula: C25H51NOSSi
• Molecular Weight: 441.84 g/mol
• Exact Mass: 441.35
• IUPAC Name: 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine
• SMILES: CC1CC2C(C)C(C)C([Si](C)(CCCCCCOC(C)(C)C)NC(C)(C)C)C2S1
• InChI: InChI=1S/C25H51NOSSi/c1-18-17-21-19(2)20(3)23(22(21)28-18)29(10,26-24(4,5)6)16-14-12-11-13-15-27-25(7,8)9/h18-23,26H,11-17H2,1-10H3
• InChIKey: VQEIDIYBHJJNHM-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.84
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine?

The IUPAC name of 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine (CID 164779479) is 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine.

What is the SMILES notation for 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine?

The canonical SMILES for 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine is CC1CC2C(C)C(C)C([Si](C)(CCCCCCOC(C)(C)C)NC(C)(C)C)C2S1.

What is the InChIKey of 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine?

The InChIKey is VQEIDIYBHJJNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NOSSi/c1-18-17-21-19(2)20(3)23(22(21)28-18)29(10,26-24(4,5)6)16-14-12-11-13-15-27-25(7,8)9/h18-23,26H,11-17H2,1-10H3.

What are the key properties of 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine?

2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine has a molecular weight of 441.84 g/mol, XLogP of 7.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine is sourced from PubChem (CID 164779479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).