2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine

C20H29NO2Si — CID 90128217

IUPAC2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine
SMILESCC(C)(CCCOCCN)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H29NO2Si/c1-20(2,14-9-16-23-17-15-21)24(22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,22H,9,14-17,21H2,1-2H3
InChIKeyOLGGDRJNSMXDDP-UHFFFAOYSA-N
MW343.54 g/mol
LogP2.27
Rot. Bonds9

About 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine

2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine (PubChem CID 90128217) has the molecular formula C20H29NO2Si and a molecular weight of 343.54 g/mol. Its IUPAC name is 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine.

Molecular Properties

Compound Name2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine
PubChem CID90128217
Molecular FormulaC20H29NO2Si
Molecular Weight343.54 g/mol
Exact Mass343.20
IUPAC Name2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine
SMILESCC(C)(CCCOCCN)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H29NO2Si/c1-20(2,14-9-16-23-17-15-21)24(22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,22H,9,14-17,21H2,1-2H3
InChIKeyOLGGDRJNSMXDDP-UHFFFAOYSA-N
XLogP2.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine?
The IUPAC name of 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine (CID 90128217) is 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine.
What is the SMILES notation for 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine?
The canonical SMILES for 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine is CC(C)(CCCOCCN)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine?
The InChIKey is OLGGDRJNSMXDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2Si/c1-20(2,14-9-16-23-17-15-21)24(22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,22H,9,14-17,21H2,1-2H3.
What are the key properties of 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine?
2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine has a molecular weight of 343.54 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethanamine is sourced from PubChem (CID 90128217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).