2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine

C22H43ClN2O2Si2 — CID 123495983

About 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine

2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine (PubChem CID 123495983) has the molecular formula C22H43ClN2O2Si2 and a molecular weight of 459.22 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine.

Molecular Properties

• Compound Name: 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine
• PubChem CID: 123495983
• Molecular Formula: C22H43ClN2O2Si2
• Molecular Weight: 459.22 g/mol
• Exact Mass: 458.26
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine
• SMILES: CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)Cc1ccc(Cl)nc1
• InChI: InChI=1S/C22H43ClN2O2Si2/c1-21(2,3)28(7,8)26-15-13-25(18-19-11-12-20(23)24-17-19)14-16-27-29(9,10)22(4,5)6/h11-12,17H,13-16,18H2,1-10H3
• InChIKey: XDAHRNVDDMSZFP-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 34.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.22
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine?

The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine (CID 123495983) is 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine.

What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine?

The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine is CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)Cc1ccc(Cl)nc1.

What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine?

The InChIKey is XDAHRNVDDMSZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43ClN2O2Si2/c1-21(2,3)28(7,8)26-15-13-25(18-19-11-12-20(23)24-17-19)14-16-27-29(9,10)22(4,5)6/h11-12,17H,13-16,18H2,1-10H3.

What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine?

2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine has a molecular weight of 459.22 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(6-chloro-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 123495983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).