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

C16H42N2O6Si3 — CID 58150266

IUPAC3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)O[Si](C)(C)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C16H42N2O6Si3/c1-7-19-26(20-8-2,15-11-13-17)23-25(5,6)24-27(21-9-3,22-10-4)16-12-14-18/h7-18H2,1-6H3
InChIKeyNHQFMHUTCPHCHI-UHFFFAOYSA-N
MW442.78 g/mol
LogP2.44
Rot. Bonds18

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

3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine (PubChem CID 58150266) has the molecular formula C16H42N2O6Si3 and a molecular weight of 442.78 g/mol. Its IUPAC name is 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine
PubChem CID58150266
Molecular FormulaC16H42N2O6Si3
Molecular Weight442.78 g/mol
Exact Mass442.24
IUPAC Name3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)O[Si](C)(C)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C16H42N2O6Si3/c1-7-19-26(20-8-2,15-11-13-17)23-25(5,6)24-27(21-9-3,22-10-4)16-12-14-18/h7-18H2,1-6H3
InChIKeyNHQFMHUTCPHCHI-UHFFFAOYSA-N
XLogP2.44
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.78
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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]oxy-diethoxysilyl]propan-1-amine?
The IUPAC name of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine (CID 58150266) is 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine.
What is the SMILES notation for 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine?
The canonical SMILES for 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine is CCO[Si](CCCN)(OCC)O[Si](C)(C)O[Si](CCCN)(OCC)OCC.
What is the InChIKey of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine?
The InChIKey is NHQFMHUTCPHCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H42N2O6Si3/c1-7-19-26(20-8-2,15-11-13-17)23-25(5,6)24-27(21-9-3,22-10-4)16-12-14-18/h7-18H2,1-6H3.
What are the key properties of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine?
3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine has a molecular weight of 442.78 g/mol, XLogP of 2.44, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-aminopropyl(diethoxy)silyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propan-1-amine is sourced from PubChem (CID 58150266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).