2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine

C12H30N2O6Si — CID 87681099

IUPAC2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCC[Si](O)(O)CCOCCOCCN
InChIInChI=1S/C12H30N2O6Si/c13-1-3-17-5-7-19-9-11-21(15,16)12-10-20-8-6-18-4-2-14/h15-16H,1-14H2
InChIKeyYYSWZHSZUSUITB-UHFFFAOYSA-N
MW326.47 g/mol
LogP-1.60
Rot. Bonds16

About 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine (PubChem CID 87681099) has the molecular formula C12H30N2O6Si and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine
PubChem CID87681099
Molecular FormulaC12H30N2O6Si
Molecular Weight326.47 g/mol
Exact Mass326.19
IUPAC Name2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCC[Si](O)(O)CCOCCOCCN
InChIInChI=1S/C12H30N2O6Si/c13-1-3-17-5-7-19-9-11-21(15,16)12-10-20-8-6-18-4-2-14/h15-16H,1-14H2
InChIKeyYYSWZHSZUSUITB-UHFFFAOYSA-N
XLogP-1.60
TPSA129.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine (CID 87681099) is 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine is NCCOCCOCC[Si](O)(O)CCOCCOCCN.
What is the InChIKey of 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine?
The InChIKey is YYSWZHSZUSUITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O6Si/c13-1-3-17-5-7-19-9-11-21(15,16)12-10-20-8-6-18-4-2-14/h15-16H,1-14H2.
What are the key properties of 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine has a molecular weight of 326.47 g/mol, XLogP of -1.60, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl-dihydroxysilyl]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 87681099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).