N-butyl-N,4-dimethyl-2-trimethylsilylaniline

C15H27NSi — CID 13156668

IUPACN-butyl-N,4-dimethyl-2-trimethylsilylaniline
SMILESCCCCN(C)c1ccc(C)cc1[Si](C)(C)C
InChIInChI=1S/C15H27NSi/c1-7-8-11-16(3)14-10-9-13(2)12-15(14)17(4,5)6/h9-10,12H,7-8,11H2,1-6H3
InChIKeyYKZVQQIJJRKTGJ-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.78
Rot. Bonds5

About N-butyl-N,4-dimethyl-2-trimethylsilylaniline

N-butyl-N,4-dimethyl-2-trimethylsilylaniline (PubChem CID 13156668) has the molecular formula C15H27NSi and a molecular weight of 249.47 g/mol. Its IUPAC name is N-butyl-N,4-dimethyl-2-trimethylsilylaniline.

Molecular Properties

Compound NameN-butyl-N,4-dimethyl-2-trimethylsilylaniline
PubChem CID13156668
Molecular FormulaC15H27NSi
Molecular Weight249.47 g/mol
Exact Mass249.19
IUPAC NameN-butyl-N,4-dimethyl-2-trimethylsilylaniline
SMILESCCCCN(C)c1ccc(C)cc1[Si](C)(C)C
InChIInChI=1S/C15H27NSi/c1-7-8-11-16(3)14-10-9-13(2)12-15(14)17(4,5)6/h9-10,12H,7-8,11H2,1-6H3
InChIKeyYKZVQQIJJRKTGJ-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-butyl-N,4-dimethyl-2-trimethylsilylaniline?
The IUPAC name of N-butyl-N,4-dimethyl-2-trimethylsilylaniline (CID 13156668) is N-butyl-N,4-dimethyl-2-trimethylsilylaniline.
What is the SMILES notation for N-butyl-N,4-dimethyl-2-trimethylsilylaniline?
The canonical SMILES for N-butyl-N,4-dimethyl-2-trimethylsilylaniline is CCCCN(C)c1ccc(C)cc1[Si](C)(C)C.
What is the InChIKey of N-butyl-N,4-dimethyl-2-trimethylsilylaniline?
The InChIKey is YKZVQQIJJRKTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NSi/c1-7-8-11-16(3)14-10-9-13(2)12-15(14)17(4,5)6/h9-10,12H,7-8,11H2,1-6H3.
What are the key properties of N-butyl-N,4-dimethyl-2-trimethylsilylaniline?
N-butyl-N,4-dimethyl-2-trimethylsilylaniline has a molecular weight of 249.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,4-dimethyl-2-trimethylsilylaniline is sourced from PubChem (CID 13156668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).