3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine

C20H54N2O4Si5 — CID 59184955

IUPAC3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine
SMILESC[Si](C)(CCCN)OCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCO[Si](C)(C)CCCN
InChIInChI=1S/C20H54N2O4Si5/c1-27(2,17-11-13-21)23-15-19-29(5,6)25-31(9,10)26-30(7,8)20-16-24-28(3,4)18-12-14-22/h11-22H2,1-10H3
InChIKeyBASMMCQZLAOTAI-UHFFFAOYSA-N
MW527.09 g/mol
LogP5.27
Rot. Bonds18

About 3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine

3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine (PubChem CID 59184955) has the molecular formula C20H54N2O4Si5 and a molecular weight of 527.09 g/mol. Its IUPAC name is 3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine
PubChem CID59184955
Molecular FormulaC20H54N2O4Si5
Molecular Weight527.09 g/mol
Exact Mass526.29
IUPAC Name3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine
SMILESC[Si](C)(CCCN)OCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCO[Si](C)(C)CCCN
InChIInChI=1S/C20H54N2O4Si5/c1-27(2,17-11-13-21)23-15-19-29(5,6)25-31(9,10)26-30(7,8)20-16-24-28(3,4)18-12-14-22/h11-22H2,1-10H3
InChIKeyBASMMCQZLAOTAI-UHFFFAOYSA-N
XLogP5.27
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.09
LogP ≤ 55.27
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-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine?
The IUPAC name of 3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine (CID 59184955) is 3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine.
What is the SMILES notation for 3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine?
The canonical SMILES for 3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine is C[Si](C)(CCCN)OCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCO[Si](C)(C)CCCN.
What is the InChIKey of 3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine?
The InChIKey is BASMMCQZLAOTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H54N2O4Si5/c1-27(2,17-11-13-21)23-15-19-29(5,6)25-31(9,10)26-30(7,8)20-16-24-28(3,4)18-12-14-22/h11-22H2,1-10H3.
What are the key properties of 3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine?
3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine has a molecular weight of 527.09 g/mol, XLogP of 5.27, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[[2-[3-aminopropyl(dimethyl)silyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]propan-1-amine is sourced from PubChem (CID 59184955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).