3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine

C17H44N2O5Si3 — CID 59991515

IUPAC3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(C[Si](C)(C)O[Si](CCCN)(OCC)OCC)OCC
InChIInChI=1S/C17H44N2O5Si3/c1-7-20-26(21-8-2,15-11-13-18)17-25(5,6)24-27(22-9-3,23-10-4)16-12-14-19/h7-19H2,1-6H3
InChIKeyFSEJDIAIULSPHD-UHFFFAOYSA-N
MW440.81 g/mol
LogP2.97
Rot. Bonds18

About 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine

3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine (PubChem CID 59991515) has the molecular formula C17H44N2O5Si3 and a molecular weight of 440.81 g/mol. Its IUPAC name is 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine
PubChem CID59991515
Molecular FormulaC17H44N2O5Si3
Molecular Weight440.81 g/mol
Exact Mass440.26
IUPAC Name3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(C[Si](C)(C)O[Si](CCCN)(OCC)OCC)OCC
InChIInChI=1S/C17H44N2O5Si3/c1-7-20-26(21-8-2,15-11-13-18)17-25(5,6)24-27(22-9-3,23-10-4)16-12-14-19/h7-19H2,1-6H3
InChIKeyFSEJDIAIULSPHD-UHFFFAOYSA-N
XLogP2.97
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.81
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine?
The IUPAC name of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine (CID 59991515) is 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine.
What is the SMILES notation for 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine?
The canonical SMILES for 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine is CCO[Si](CCCN)(C[Si](C)(C)O[Si](CCCN)(OCC)OCC)OCC.
What is the InChIKey of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine?
The InChIKey is FSEJDIAIULSPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H44N2O5Si3/c1-7-20-26(21-8-2,15-11-13-18)17-25(5,6)24-27(22-9-3,23-10-4)16-12-14-19/h7-19H2,1-6H3.
What are the key properties of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine?
3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine has a molecular weight of 440.81 g/mol, XLogP of 2.97, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]methyl-diethoxysilyl]propan-1-amine is sourced from PubChem (CID 59991515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).