N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine

C26H53NO2Si3 — CID 91718597

IUPACN-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C26H53NO2Si3/c1-24(2,3)30(10,11)27-20-23(29-32(14,15)26(7,8)9)21-16-18-22(19-17-21)28-31(12,13)25(4,5)6/h16-19,23,27H,20H2,1-15H3
InChIKeyVMCUKEOANIDKGE-UHFFFAOYSA-N
MW495.97 g/mol
LogP8.73
Rot. Bonds8

About N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine

N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine (PubChem CID 91718597) has the molecular formula C26H53NO2Si3 and a molecular weight of 495.97 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
PubChem CID91718597
Molecular FormulaC26H53NO2Si3
Molecular Weight495.97 g/mol
Exact Mass495.34
IUPAC NameN-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C26H53NO2Si3/c1-24(2,3)30(10,11)27-20-23(29-32(14,15)26(7,8)9)21-16-18-22(19-17-21)28-31(12,13)25(4,5)6/h16-19,23,27H,20H2,1-15H3
InChIKeyVMCUKEOANIDKGE-UHFFFAOYSA-N
XLogP8.73
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 ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Silanamine, 1,1,1-trimethyl-N-[2-[4-[(trimethylsilyl)oxy]phenyl]ethyl]-
CID 521557
1-(((1,1-Dimethylethyl)dimethylsilyl)oxy)-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 10893570
Phenylethanolamine triTMS
CID 599838
Dopamine, 3TBDMS derivative
CID 91718588
2-{4-[(Trimethylsilyl)oxy]phenyl}ethan-1-amine
CID 91727353
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine
CID 11984480
3,4-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]benzeneethanamine
CID 10883445
4-[(S)-2-Amino-3-(triisopropyl-silanoxy)-propyl]-phenol
CID 12000045
2-Phenyl-2-tert-butyl dimethylsiloxy1-ethylamine
CID 14624895
meta-Fluorotyramine, di-TMS
CID 91750745
Silanamine, N-[2-[3,4-bis[(trimethylsilyl)oxy]phenyl]ethyl]-1,1,1-trimethyl-
CID 522303
Noradrenaline tetraTMS
CID 524460

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine (CID 91718597) is N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine is CC(C)(C)[Si](C)(C)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine?
The InChIKey is VMCUKEOANIDKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO2Si3/c1-24(2,3)30(10,11)27-20-23(29-32(14,15)26(7,8)9)21-16-18-22(19-17-21)28-31(12,13)25(4,5)6/h16-19,23,27H,20H2,1-15H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine?
N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine has a molecular weight of 495.97 g/mol, XLogP of 8.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine is sourced from PubChem (CID 91718597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).