N-butyl-3-methyl-5-trimethylsilylaniline

C14H25NSi — CID 102420751

IUPACN-butyl-3-methyl-5-trimethylsilylaniline
SMILESCCCCNc1cc(C)cc([Si](C)(C)C)c1
InChIInChI=1S/C14H25NSi/c1-6-7-8-15-13-9-12(2)10-14(11-13)16(3,4)5/h9-11,15H,6-8H2,1-5H3
InChIKeyOWOAGTMXLMYSQS-UHFFFAOYSA-N
MW235.45 g/mol
LogP3.75
Rot. Bonds5

About N-butyl-3-methyl-5-trimethylsilylaniline

N-butyl-3-methyl-5-trimethylsilylaniline (PubChem CID 102420751) has the molecular formula C14H25NSi and a molecular weight of 235.45 g/mol. Its IUPAC name is N-butyl-3-methyl-5-trimethylsilylaniline.

Molecular Properties

Compound NameN-butyl-3-methyl-5-trimethylsilylaniline
PubChem CID102420751
Molecular FormulaC14H25NSi
Molecular Weight235.45 g/mol
Exact Mass235.18
IUPAC NameN-butyl-3-methyl-5-trimethylsilylaniline
SMILESCCCCNc1cc(C)cc([Si](C)(C)C)c1
InChIInChI=1S/C14H25NSi/c1-6-7-8-15-13-9-12(2)10-14(11-13)16(3,4)5/h9-11,15H,6-8H2,1-5H3
InChIKeyOWOAGTMXLMYSQS-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butyl-3-methyl-5-trimethylsilylaniline?
The IUPAC name of N-butyl-3-methyl-5-trimethylsilylaniline (CID 102420751) is N-butyl-3-methyl-5-trimethylsilylaniline.
What is the SMILES notation for N-butyl-3-methyl-5-trimethylsilylaniline?
The canonical SMILES for N-butyl-3-methyl-5-trimethylsilylaniline is CCCCNc1cc(C)cc([Si](C)(C)C)c1.
What is the InChIKey of N-butyl-3-methyl-5-trimethylsilylaniline?
The InChIKey is OWOAGTMXLMYSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NSi/c1-6-7-8-15-13-9-12(2)10-14(11-13)16(3,4)5/h9-11,15H,6-8H2,1-5H3.
What are the key properties of N-butyl-3-methyl-5-trimethylsilylaniline?
N-butyl-3-methyl-5-trimethylsilylaniline has a molecular weight of 235.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-5-trimethylsilylaniline is sourced from PubChem (CID 102420751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).