N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine

C23H45NO2Si2 — CID 10669988

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine
SMILESCC(C)(NCCO[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H45NO2Si2/c1-21(2,3)27(9,10)25-18-17-24-23(7,8)19-13-15-20(16-14-19)26-28(11,12)22(4,5)6/h13-16,24H,17-18H2,1-12H3
InChIKeyYBKCRJZLRBZJLS-UHFFFAOYSA-N
MW423.79 g/mol
LogP6.92
Rot. Bonds8

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine (PubChem CID 10669988) has the molecular formula C23H45NO2Si2 and a molecular weight of 423.79 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine
PubChem CID10669988
Molecular FormulaC23H45NO2Si2
Molecular Weight423.79 g/mol
Exact Mass423.30
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine
SMILESCC(C)(NCCO[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H45NO2Si2/c1-21(2,3)27(9,10)25-18-17-24-23(7,8)19-13-15-20(16-14-19)26-28(11,12)22(4,5)6/h13-16,24H,17-18H2,1-12H3
InChIKeyYBKCRJZLRBZJLS-UHFFFAOYSA-N
XLogP6.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.79
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine (CID 10669988) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine is CC(C)(NCCO[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine?
The InChIKey is YBKCRJZLRBZJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO2Si2/c1-21(2,3)27(9,10)25-18-17-24-23(7,8)19-13-15-20(16-14-19)26-28(11,12)22(4,5)6/h13-16,24H,17-18H2,1-12H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine has a molecular weight of 423.79 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine is sourced from PubChem (CID 10669988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).