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

C26H53NOSSi — CID 164779465

About 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-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]-(2,3,4,5-tetramethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine (PubChem CID 164779465) has the molecular formula C26H53NOSSi and a molecular weight of 455.87 g/mol. Its IUPAC name is 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-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]-(2,3,4,5-tetramethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine
• PubChem CID: 164779465
• Molecular Formula: C26H53NOSSi
• Molecular Weight: 455.87 g/mol
• Exact Mass: 455.36
• IUPAC Name: 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine
• SMILES: CC1SC2C(C1C)C(C)C(C)C2[Si](C)(CCCCCCOC(C)(C)C)NC(C)(C)C
• InChI: InChI=1S/C26H53NOSSi/c1-18-19(2)24(23-22(18)20(3)21(4)29-23)30(11,27-25(5,6)7)17-15-13-12-14-16-28-26(8,9)10/h18-24,27H,12-17H2,1-11H3
• InChIKey: AEBHJCSUZFWBNF-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.87
LogP ≤ 5	7.74
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]-(2,3,4,5-tetramethyl-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]-(2,3,4,5-tetramethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine (CID 164779465) is 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-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]-(2,3,4,5-tetramethyl-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]-(2,3,4,5-tetramethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine is CC1SC2C(C1C)C(C)C(C)C2[Si](C)(CCCCCCOC(C)(C)C)NC(C)(C)C.

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

The InChIKey is AEBHJCSUZFWBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NOSSi/c1-18-19(2)24(23-22(18)20(3)21(4)29-23)30(11,27-25(5,6)7)17-15-13-12-14-16-28-26(8,9)10/h18-24,27H,12-17H2,1-11H3.

What are the key properties of 2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-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]-(2,3,4,5-tetramethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine has a molecular weight of 455.87 g/mol, XLogP of 7.74, 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]-(2,3,4,5-tetramethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine is sourced from PubChem (CID 164779465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).