N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline

C21H29NSi — CID 71391608

IUPACN-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline
SMILESCC(C=CCCN(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H29NSi/c1-19(23(2,3)4)13-11-12-18-22(20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-11,13-17,19H,12,18H2,1-4H3
InChIKeyORCSUBKDTQFWAZ-UHFFFAOYSA-N
MW323.56 g/mol
LogP6.50
Rot. Bonds7

About N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline

N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline (PubChem CID 71391608) has the molecular formula C21H29NSi and a molecular weight of 323.56 g/mol. Its IUPAC name is N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline.

Molecular Properties

Compound NameN-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline
PubChem CID71391608
Molecular FormulaC21H29NSi
Molecular Weight323.56 g/mol
Exact Mass323.21
IUPAC NameN-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline
SMILESCC(C=CCCN(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H29NSi/c1-19(23(2,3)4)13-11-12-18-22(20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-11,13-17,19H,12,18H2,1-4H3
InChIKeyORCSUBKDTQFWAZ-UHFFFAOYSA-N
XLogP6.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline?
The IUPAC name of N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline (CID 71391608) is N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline.
What is the SMILES notation for N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline?
The canonical SMILES for N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline is CC(C=CCCN(c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline?
The InChIKey is ORCSUBKDTQFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NSi/c1-19(23(2,3)4)13-11-12-18-22(20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-11,13-17,19H,12,18H2,1-4H3.
What are the key properties of N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline?
N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline has a molecular weight of 323.56 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline is sourced from PubChem (CID 71391608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).