N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine

C33H65NOSi — CID 171591079

About N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine

N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine (PubChem CID 171591079) has the molecular formula C33H65NOSi and a molecular weight of 519.98 g/mol. Its IUPAC name is N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine
• PubChem CID: 171591079
• Molecular Formula: C33H65NOSi
• Molecular Weight: 519.98 g/mol
• Exact Mass: 519.48
• IUPAC Name: N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine
• SMILES: CC(C)C1CC2C(C3CCCCC3)CCCC2C1[Si](C)(CCCCCCOC(C)(C)C)NC(C)(C)C
• InChI: InChI=1S/C33H65NOSi/c1-25(2)29-24-30-27(26-18-13-12-14-19-26)20-17-21-28(30)31(29)36(9,34-32(3,4)5)23-16-11-10-15-22-35-33(6,7)8/h25-31,34H,10-24H2,1-9H3
• InChIKey: PCRGOBNGAPXWEX-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.98
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine?

The IUPAC name of N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine (CID 171591079) is N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine.

What is the SMILES notation for N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine?

The canonical SMILES for N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine is CC(C)C1CC2C(C3CCCCC3)CCCC2C1[Si](C)(CCCCCCOC(C)(C)C)NC(C)(C)C.

What is the InChIKey of N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine?

The InChIKey is PCRGOBNGAPXWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65NOSi/c1-25(2)29-24-30-27(26-18-13-12-14-19-26)20-17-21-28(30)31(29)36(9,34-32(3,4)5)23-16-11-10-15-22-35-33(6,7)8/h25-31,34H,10-24H2,1-9H3.

What are the key properties of N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine?

N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine has a molecular weight of 519.98 g/mol, XLogP of 9.98, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 171591079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).