N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine

C12H27NO2Si — CID 154083246

IUPACN-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine
SMILESCCOC(CC=C[SiH2]N(CC)CC)OCC
InChIInChI=1S/C12H27NO2Si/c1-5-13(6-2)16-11-9-10-12(14-7-3)15-8-4/h9,11-12H,5-8,10,16H2,1-4H3
InChIKeyNWUBOXRXWSLFOX-UHFFFAOYSA-N
MW245.44 g/mol
LogP1.71
Rot. Bonds10

About N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine

N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine (PubChem CID 154083246) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine
PubChem CID154083246
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC NameN-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine
SMILESCCOC(CC=C[SiH2]N(CC)CC)OCC
InChIInChI=1S/C12H27NO2Si/c1-5-13(6-2)16-11-9-10-12(14-7-3)15-8-4/h9,11-12H,5-8,10,16H2,1-4H3
InChIKeyNWUBOXRXWSLFOX-UHFFFAOYSA-N
XLogP1.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine?
The IUPAC name of N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine (CID 154083246) is N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine.
What is the SMILES notation for N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine?
The canonical SMILES for N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine is CCOC(CC=C[SiH2]N(CC)CC)OCC.
What is the InChIKey of N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine?
The InChIKey is NWUBOXRXWSLFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-5-13(6-2)16-11-9-10-12(14-7-3)15-8-4/h9,11-12H,5-8,10,16H2,1-4H3.
What are the key properties of N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine?
N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine has a molecular weight of 245.44 g/mol, XLogP of 1.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diethoxybut-1-enylsilyl)-N-ethylethanamine is sourced from PubChem (CID 154083246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).