4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline

C19H28BrNSi — CID 58897752

IUPAC4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline
SMILESCC1=C(C)C([Si](C)(C)Nc2c(C)cc(Br)cc2C)C(C)=C1C
InChIInChI=1S/C19H28BrNSi/c1-11-9-17(20)10-12(2)18(11)21-22(7,8)19-15(5)13(3)14(4)16(19)6/h9-10,19,21H,1-8H3
InChIKeyBIYAXTWPKDLSMK-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.74
Rot. Bonds3

About 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline

4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline (PubChem CID 58897752) has the molecular formula C19H28BrNSi and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline
PubChem CID58897752
Molecular FormulaC19H28BrNSi
Molecular Weight378.43 g/mol
Exact Mass377.12
IUPAC Name4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline
SMILESCC1=C(C)C([Si](C)(C)Nc2c(C)cc(Br)cc2C)C(C)=C1C
InChIInChI=1S/C19H28BrNSi/c1-11-9-17(20)10-12(2)18(11)21-22(7,8)19-15(5)13(3)14(4)16(19)6/h9-10,19,21H,1-8H3
InChIKeyBIYAXTWPKDLSMK-UHFFFAOYSA-N
XLogP6.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.74
H-Bond Donors ≤ 51
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 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline (CID 58897752) is 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline is CC1=C(C)C([Si](C)(C)Nc2c(C)cc(Br)cc2C)C(C)=C1C.
What is the InChIKey of 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline?
The InChIKey is BIYAXTWPKDLSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrNSi/c1-11-9-17(20)10-12(2)18(11)21-22(7,8)19-15(5)13(3)14(4)16(19)6/h9-10,19,21H,1-8H3.
What are the key properties of 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline?
4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline has a molecular weight of 378.43 g/mol, XLogP of 6.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline is sourced from PubChem (CID 58897752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).