3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine

C21H57N3O8Si3 — CID 87578910

IUPAC3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CO[Si](C)(CCCN)OC.CO[Si](CCCN)(OC)OC
InChIInChI=1S/C9H23NO3Si.C6H17NO3Si.C6H17NO2Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-8-11(9-2,10-3)6-4-5-7;1-8-10(3,9-2)6-4-5-7/h4-10H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyRGBAJRYPNHPZJN-UHFFFAOYSA-N
MW563.96 g/mol
LogP2.30
Rot. Bonds20

About 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine

3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine (PubChem CID 87578910) has the molecular formula C21H57N3O8Si3 and a molecular weight of 563.96 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
PubChem CID87578910
Molecular FormulaC21H57N3O8Si3
Molecular Weight563.96 g/mol
Exact Mass563.35
IUPAC Name3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CO[Si](C)(CCCN)OC.CO[Si](CCCN)(OC)OC
InChIInChI=1S/C9H23NO3Si.C6H17NO3Si.C6H17NO2Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-8-11(9-2,10-3)6-4-5-7;1-8-10(3,9-2)6-4-5-7/h4-10H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyRGBAJRYPNHPZJN-UHFFFAOYSA-N
XLogP2.30
TPSA151.90 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.96
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine (CID 87578910) is 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine is CCO[Si](CCCN)(OCC)OCC.CO[Si](C)(CCCN)OC.CO[Si](CCCN)(OC)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
The InChIKey is RGBAJRYPNHPZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3Si.C6H17NO3Si.C6H17NO2Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-8-11(9-2,10-3)6-4-5-7;1-8-10(3,9-2)6-4-5-7/h4-10H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine has a molecular weight of 563.96 g/mol, XLogP of 2.30, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propan-1-amine;3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 87578910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).