N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine

C32H61NSSi — CID 162292885

About N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine

N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine (PubChem CID 162292885) has the molecular formula C32H61NSSi and a molecular weight of 520.00 g/mol. Its IUPAC name is N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine
• PubChem CID: 162292885
• Molecular Formula: C32H61NSSi
• Molecular Weight: 520.00 g/mol
• Exact Mass: 519.43
• IUPAC Name: N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine
• SMILES: CC(C)C1CCCC2C1SC1C(C(C)C)CC3CC(C)C([Si](C)(C)N(C(C)(C)C)C(C)(C)C)C3C21
• InChI: InChI=1S/C32H61NSSi/c1-19(2)23-15-14-16-24-27-26-22(18-25(20(3)4)29(27)34-28(23)24)17-21(5)30(26)35(12,13)33(31(6,7)8)32(9,10)11/h19-30H,14-18H2,1-13H3
• InChIKey: SGHNQPQZMZMSOS-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.00
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine?

The IUPAC name of N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine (CID 162292885) is N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine.

What is the SMILES notation for N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine?

The canonical SMILES for N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine is CC(C)C1CCCC2C1SC1C(C(C)C)CC3CC(C)C([Si](C)(C)N(C(C)(C)C)C(C)(C)C)C3C21.

What is the InChIKey of N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine?

The InChIKey is SGHNQPQZMZMSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H61NSSi/c1-19(2)23-15-14-16-24-27-26-22(18-25(20(3)4)29(27)34-28(23)24)17-21(5)30(26)35(12,13)33(31(6,7)8)32(9,10)11/h19-30H,14-18H2,1-13H3.

What are the key properties of N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine?

N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine has a molecular weight of 520.00 g/mol, XLogP of 9.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N-[dimethyl-[4-methyl-8,12-di(propan-2-yl)-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl]silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 162292885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).