3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine

C26H46N2O4Si3 — CID 172907440

IUPAC3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)[Si](c1ccccc1)(c1ccccc1)[Si](CCCN)(OCC)OCC
InChIInChI=1S/C26H46N2O4Si3/c1-5-29-33(30-6-2,23-15-21-27)35(25-17-11-9-12-18-25,26-19-13-10-14-20-26)34(31-7-3,32-8-4)24-16-22-28/h9-14,17-20H,5-8,15-16,21-24,27-28H2,1-4H3
InChIKeyJGRSLWWMNQNPHO-UHFFFAOYSA-N
MW534.92 g/mol
LogP3.13
Rot. Bonds18

About 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine

3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine (PubChem CID 172907440) has the molecular formula C26H46N2O4Si3 and a molecular weight of 534.92 g/mol. Its IUPAC name is 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine
PubChem CID172907440
Molecular FormulaC26H46N2O4Si3
Molecular Weight534.92 g/mol
Exact Mass534.28
IUPAC Name3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)[Si](c1ccccc1)(c1ccccc1)[Si](CCCN)(OCC)OCC
InChIInChI=1S/C26H46N2O4Si3/c1-5-29-33(30-6-2,23-15-21-27)35(25-17-11-9-12-18-25,26-19-13-10-14-20-26)34(31-7-3,32-8-4)24-16-22-28/h9-14,17-20H,5-8,15-16,21-24,27-28H2,1-4H3
InChIKeyJGRSLWWMNQNPHO-UHFFFAOYSA-N
XLogP3.13
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.92
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine?
The IUPAC name of 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine (CID 172907440) is 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine.
What is the SMILES notation for 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine?
The canonical SMILES for 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine is CCO[Si](CCCN)(OCC)[Si](c1ccccc1)(c1ccccc1)[Si](CCCN)(OCC)OCC.
What is the InChIKey of 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine?
The InChIKey is JGRSLWWMNQNPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O4Si3/c1-5-29-33(30-6-2,23-15-21-27)35(25-17-11-9-12-18-25,26-19-13-10-14-20-26)34(31-7-3,32-8-4)24-16-22-28/h9-14,17-20H,5-8,15-16,21-24,27-28H2,1-4H3.
What are the key properties of 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine?
3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine has a molecular weight of 534.92 g/mol, XLogP of 3.13, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-aminopropyl(diethoxy)silyl]-diphenylsilyl]-diethoxysilyl]propan-1-amine is sourced from PubChem (CID 172907440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).