N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine

C23H27N3Si — CID 10619370

IUPACN-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine
SMILESCCN(CC)/N=N/c1ccc(C#Cc2ccc(C#C[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C23H27N3Si/c1-6-26(7-2)25-24-23-16-14-21(15-17-23)9-8-20-10-12-22(13-11-20)18-19-27(3,4)5/h10-17H,6-7H2,1-5H3/b25-24+
InChIKeyGDJKNOSBECQVRS-OCOZRVBESA-N
MW373.58 g/mol
LogP5.66
Rot. Bonds4

About N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine

N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine (PubChem CID 10619370) has the molecular formula C23H27N3Si and a molecular weight of 373.58 g/mol. Its IUPAC name is N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine
PubChem CID10619370
Molecular FormulaC23H27N3Si
Molecular Weight373.58 g/mol
Exact Mass373.20
IUPAC NameN-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine
SMILESCCN(CC)/N=N/c1ccc(C#Cc2ccc(C#C[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C23H27N3Si/c1-6-26(7-2)25-24-23-16-14-21(15-17-23)9-8-20-10-12-22(13-11-20)18-19-27(3,4)5/h10-17H,6-7H2,1-5H3/b25-24+
InChIKeyGDJKNOSBECQVRS-OCOZRVBESA-N
XLogP5.66
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine (CID 10619370) is N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine is CCN(CC)/N=N/c1ccc(C#Cc2ccc(C#C[Si](C)(C)C)cc2)cc1.
What is the InChIKey of N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine?
The InChIKey is GDJKNOSBECQVRS-OCOZRVBESA-N. The full InChI is InChI=1S/C23H27N3Si/c1-6-26(7-2)25-24-23-16-14-21(15-17-23)9-8-20-10-12-22(13-11-20)18-19-27(3,4)5/h10-17H,6-7H2,1-5H3/b25-24+.
What are the key properties of N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine?
N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine has a molecular weight of 373.58 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]diazenyl]ethanamine is sourced from PubChem (CID 10619370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).