4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine

C13H31NO2Si — CID 18538179

IUPAC4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine
SMILESCCO[Si](C)(CCC(CC)(CC)CN)OCC
InChIInChI=1S/C13H31NO2Si/c1-6-13(7-2,12-14)10-11-17(5,15-8-3)16-9-4/h6-12,14H2,1-5H3
InChIKeyCJIBCOAIAHBDEL-UHFFFAOYSA-N
MW261.48 g/mol
LogP3.29
Rot. Bonds10

About 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine

4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine (PubChem CID 18538179) has the molecular formula C13H31NO2Si and a molecular weight of 261.48 g/mol. Its IUPAC name is 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine.

Molecular Properties

Compound Name4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine
PubChem CID18538179
Molecular FormulaC13H31NO2Si
Molecular Weight261.48 g/mol
Exact Mass261.21
IUPAC Name4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine
SMILESCCO[Si](C)(CCC(CC)(CC)CN)OCC
InChIInChI=1S/C13H31NO2Si/c1-6-13(7-2,12-14)10-11-17(5,15-8-3)16-9-4/h6-12,14H2,1-5H3
InChIKeyCJIBCOAIAHBDEL-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine?
The IUPAC name of 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine (CID 18538179) is 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine.
What is the SMILES notation for 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine?
The canonical SMILES for 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine is CCO[Si](C)(CCC(CC)(CC)CN)OCC.
What is the InChIKey of 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine?
The InChIKey is CJIBCOAIAHBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO2Si/c1-6-13(7-2,12-14)10-11-17(5,15-8-3)16-9-4/h6-12,14H2,1-5H3.
What are the key properties of 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine?
4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine has a molecular weight of 261.48 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxy(methyl)silyl]-2,2-diethylbutan-1-amine is sourced from PubChem (CID 18538179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).