2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine

C12H29NO4Si — CID 87148914

IUPAC2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine
SMILESCCO[Si](CCCOC(C)CNC)(OC)OCC
InChIInChI=1S/C12H29NO4Si/c1-6-16-18(14-5,17-7-2)10-8-9-15-12(3)11-13-4/h12-13H,6-11H2,1-5H3
InChIKeyPQDAKLVMMGZMRE-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.66
Rot. Bonds12

About 2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine

2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine (PubChem CID 87148914) has the molecular formula C12H29NO4Si and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine
PubChem CID87148914
Molecular FormulaC12H29NO4Si
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC Name2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine
SMILESCCO[Si](CCCOC(C)CNC)(OC)OCC
InChIInChI=1S/C12H29NO4Si/c1-6-16-18(14-5,17-7-2)10-8-9-15-12(3)11-13-4/h12-13H,6-11H2,1-5H3
InChIKeyPQDAKLVMMGZMRE-UHFFFAOYSA-N
XLogP1.66
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine?
The IUPAC name of 2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine (CID 87148914) is 2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine?
The canonical SMILES for 2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine is CCO[Si](CCCOC(C)CNC)(OC)OCC.
What is the InChIKey of 2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine?
The InChIKey is PQDAKLVMMGZMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO4Si/c1-6-16-18(14-5,17-7-2)10-8-9-15-12(3)11-13-4/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine?
2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 1.66, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[diethoxy(methoxy)silyl]propoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 87148914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).