2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine

C26H53NO2Si3 — CID 91718588

IUPAC2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)NCCc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C26H53NO2Si3/c1-24(2,3)30(10,11)27-19-18-21-16-17-22(28-31(12,13)25(4,5)6)23(20-21)29-32(14,15)26(7,8)9/h16-17,20,27H,18-19H2,1-15H3
InChIKeyJFRZLRBTNXRJJM-UHFFFAOYSA-N
MW495.97 g/mol
LogP8.59
Rot. Bonds8

About 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine

2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine (PubChem CID 91718588) has the molecular formula C26H53NO2Si3 and a molecular weight of 495.97 g/mol. Its IUPAC name is 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine.

Molecular Properties

Compound Name2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine
PubChem CID91718588
Molecular FormulaC26H53NO2Si3
Molecular Weight495.97 g/mol
Exact Mass495.34
IUPAC Name2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)NCCc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C26H53NO2Si3/c1-24(2,3)30(10,11)27-19-18-21-16-17-22(28-31(12,13)25(4,5)6)23(20-21)29-32(14,15)26(7,8)9/h16-17,20,27H,18-19H2,1-15H3
InChIKeyJFRZLRBTNXRJJM-UHFFFAOYSA-N
XLogP8.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.97
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine?
The IUPAC name of 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine (CID 91718588) is 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine.
What is the SMILES notation for 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine?
The canonical SMILES for 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine is CC(C)(C)[Si](C)(C)NCCc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine?
The InChIKey is JFRZLRBTNXRJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO2Si3/c1-24(2,3)30(10,11)27-19-18-21-16-17-22(28-31(12,13)25(4,5)6)23(20-21)29-32(14,15)26(7,8)9/h16-17,20,27H,18-19H2,1-15H3.
What are the key properties of 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine?
2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine has a molecular weight of 495.97 g/mol, XLogP of 8.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-[tert-butyl(dimethyl)silyl]ethanamine is sourced from PubChem (CID 91718588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).