N-tert-butyl-N-[dimethyl-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine

C28H53NSSi — CID 162299104

About N-tert-butyl-N-[dimethyl-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine

N-tert-butyl-N-[dimethyl-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine (PubChem CID 162299104) has the molecular formula C28H53NSSi and a molecular weight of 463.89 g/mol. Its IUPAC name is N-tert-butyl-N-[dimethyl-(4,13,14-trimethyl-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-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine
• PubChem CID: 162299104
• Molecular Formula: C28H53NSSi
• Molecular Weight: 463.89 g/mol
• Exact Mass: 463.37
• IUPAC Name: N-tert-butyl-N-[dimethyl-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine
• SMILES: CC1CC2SC3CCC4CC(C)C([Si](C)(C)N(C(C)(C)C)C(C)(C)C)C4C3C2CC1C
• InChI: InChI=1S/C28H53NSSi/c1-17-15-21-23(16-18(17)2)30-22-13-12-20-14-19(3)26(24(20)25(21)22)31(10,11)29(27(4,5)6)28(7,8)9/h17-26H,12-16H2,1-11H3
• InChIKey: ZEKRNERMJJYDEJ-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.89
LogP ≤ 5	8.31
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-(4,13,14-trimethyl-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-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine (CID 162299104) is N-tert-butyl-N-[dimethyl-(4,13,14-trimethyl-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-(4,13,14-trimethyl-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-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine is CC1CC2SC3CCC4CC(C)C([Si](C)(C)N(C(C)(C)C)C(C)(C)C)C4C3C2CC1C.

What is the InChIKey of N-tert-butyl-N-[dimethyl-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine?

The InChIKey is ZEKRNERMJJYDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53NSSi/c1-17-15-21-23(16-18(17)2)30-22-13-12-20-14-19(3)26(24(20)25(21)22)31(10,11)29(27(4,5)6)28(7,8)9/h17-26H,12-16H2,1-11H3.

What are the key properties of N-tert-butyl-N-[dimethyl-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine?

N-tert-butyl-N-[dimethyl-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine has a molecular weight of 463.89 g/mol, XLogP of 8.31, 2 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-(4,13,14-trimethyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 162299104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).