4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline

C17H35NO2Si3 — CID 59944140

IUPAC4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline
SMILESCc1ccc(NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1
InChIInChI=1S/C17H35NO2Si3/c1-16-10-12-17(13-11-16)18-14-9-15-23(8,19-21(2,3)4)20-22(5,6)7/h10-13,18H,9,14-15H2,1-8H3
InChIKeyRODXTJXXNBYNQE-UHFFFAOYSA-N
MW369.73 g/mol
LogP5.57
Rot. Bonds9

About 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline

4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline (PubChem CID 59944140) has the molecular formula C17H35NO2Si3 and a molecular weight of 369.73 g/mol. Its IUPAC name is 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline
PubChem CID59944140
Molecular FormulaC17H35NO2Si3
Molecular Weight369.73 g/mol
Exact Mass369.20
IUPAC Name4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline
SMILESCc1ccc(NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1
InChIInChI=1S/C17H35NO2Si3/c1-16-10-12-17(13-11-16)18-14-9-15-23(8,19-21(2,3)4)20-22(5,6)7/h10-13,18H,9,14-15H2,1-8H3
InChIKeyRODXTJXXNBYNQE-UHFFFAOYSA-N
XLogP5.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.73
LogP ≤ 55.57
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 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline?
The IUPAC name of 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline (CID 59944140) is 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline.
What is the SMILES notation for 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline?
The canonical SMILES for 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline is Cc1ccc(NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1.
What is the InChIKey of 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline?
The InChIKey is RODXTJXXNBYNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2Si3/c1-16-10-12-17(13-11-16)18-14-9-15-23(8,19-21(2,3)4)20-22(5,6)7/h10-13,18H,9,14-15H2,1-8H3.
What are the key properties of 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline?
4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline has a molecular weight of 369.73 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]aniline is sourced from PubChem (CID 59944140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).