3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine

C13H31NO3Si — CID 90074863

IUPAC3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine
SMILESCCO[Si](CC)(CCOCCCN(C)C)OCC
InChIInChI=1S/C13H31NO3Si/c1-6-16-18(8-3,17-7-2)13-12-15-11-9-10-14(4)5/h6-13H2,1-5H3
InChIKeyXKVLLROIUFHEGG-UHFFFAOYSA-N
MW277.48 g/mol
LogP2.49
Rot. Bonds12

About 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine

3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine (PubChem CID 90074863) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine
PubChem CID90074863
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC Name3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine
SMILESCCO[Si](CC)(CCOCCCN(C)C)OCC
InChIInChI=1S/C13H31NO3Si/c1-6-16-18(8-3,17-7-2)13-12-15-11-9-10-14(4)5/h6-13H2,1-5H3
InChIKeyXKVLLROIUFHEGG-UHFFFAOYSA-N
XLogP2.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine (CID 90074863) is 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine is CCO[Si](CC)(CCOCCCN(C)C)OCC.
What is the InChIKey of 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is XKVLLROIUFHEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO3Si/c1-6-16-18(8-3,17-7-2)13-12-15-11-9-10-14(4)5/h6-13H2,1-5H3.
What are the key properties of 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine?
3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 2.49, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 90074863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).