1,1-dimethoxy-3-trimethoxysilylpropan-1-amine

C8H21NO5Si — CID 21018728

IUPAC1,1-dimethoxy-3-trimethoxysilylpropan-1-amine
SMILESCOC(N)(CC[Si](OC)(OC)OC)OC
InChIInChI=1S/C8H21NO5Si/c1-10-8(9,11-2)6-7-15(12-3,13-4)14-5/h6-7,9H2,1-5H3
InChIKeyPSTSTWMTUJHYIJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.16
Rot. Bonds8

About 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine

1,1-dimethoxy-3-trimethoxysilylpropan-1-amine (PubChem CID 21018728) has the molecular formula C8H21NO5Si and a molecular weight of 239.34 g/mol. Its IUPAC name is 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Name1,1-dimethoxy-3-trimethoxysilylpropan-1-amine
PubChem CID21018728
Molecular FormulaC8H21NO5Si
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Name1,1-dimethoxy-3-trimethoxysilylpropan-1-amine
SMILESCOC(N)(CC[Si](OC)(OC)OC)OC
InChIInChI=1S/C8H21NO5Si/c1-10-8(9,11-2)6-7-15(12-3,13-4)14-5/h6-7,9H2,1-5H3
InChIKeyPSTSTWMTUJHYIJ-UHFFFAOYSA-N
XLogP0.16
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine?
The IUPAC name of 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine (CID 21018728) is 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine?
The canonical SMILES for 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine is COC(N)(CC[Si](OC)(OC)OC)OC.
What is the InChIKey of 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine?
The InChIKey is PSTSTWMTUJHYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO5Si/c1-10-8(9,11-2)6-7-15(12-3,13-4)14-5/h6-7,9H2,1-5H3.
What are the key properties of 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine?
1,1-dimethoxy-3-trimethoxysilylpropan-1-amine has a molecular weight of 239.34 g/mol, XLogP of 0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 21018728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).