N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline

C20H25NSi — CID 86657326

IUPACN-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline
SMILESCC1=CC2=C([Si](C)(C)Nc3cc(C)cc(C)c3)C=CCC2=C1
InChIInChI=1S/C20H25NSi/c1-14-9-15(2)12-18(11-14)21-22(4,5)20-8-6-7-17-10-16(3)13-19(17)20/h6,8-13,21H,7H2,1-5H3
InChIKeyNCOBOAIZTDESRG-UHFFFAOYSA-N
MW307.51 g/mol
LogP5.60
Rot. Bonds3

About N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline

N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline (PubChem CID 86657326) has the molecular formula C20H25NSi and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline
PubChem CID86657326
Molecular FormulaC20H25NSi
Molecular Weight307.51 g/mol
Exact Mass307.18
IUPAC NameN-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline
SMILESCC1=CC2=C([Si](C)(C)Nc3cc(C)cc(C)c3)C=CCC2=C1
InChIInChI=1S/C20H25NSi/c1-14-9-15(2)12-18(11-14)21-22(4,5)20-8-6-7-17-10-16(3)13-19(17)20/h6,8-13,21H,7H2,1-5H3
InChIKeyNCOBOAIZTDESRG-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.51
LogP ≤ 55.60
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 N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline?
The IUPAC name of N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline (CID 86657326) is N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline?
The canonical SMILES for N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline is CC1=CC2=C([Si](C)(C)Nc3cc(C)cc(C)c3)C=CCC2=C1.
What is the InChIKey of N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline?
The InChIKey is NCOBOAIZTDESRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NSi/c1-14-9-15(2)12-18(11-14)21-22(4,5)20-8-6-7-17-10-16(3)13-19(17)20/h6,8-13,21H,7H2,1-5H3.
What are the key properties of N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline?
N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline has a molecular weight of 307.51 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline is sourced from PubChem (CID 86657326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).