3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine

C18H51N3O9Si3 — CID 87589714

IUPAC3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CO[Si](CCCN)(OC)OC.NCCC[Si](O)(O)O
InChIInChI=1S/C9H23NO3Si.C6H17NO3Si.C3H11NO3Si/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;4-2-1-3-8(5,6)7/h4-10H2,1-3H3;4-7H2,1-3H3;5-7H,1-4H2
InChIKeyNMFHEFZRODBWHC-UHFFFAOYSA-N
MW537.88 g/mol
LogP-0.15
Rot. Bonds18

About 3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine

3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine (PubChem CID 87589714) has the molecular formula C18H51N3O9Si3 and a molecular weight of 537.88 g/mol. Its IUPAC name is 3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Name3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
PubChem CID87589714
Molecular FormulaC18H51N3O9Si3
Molecular Weight537.88 g/mol
Exact Mass537.29
IUPAC Name3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CO[Si](CCCN)(OC)OC.NCCC[Si](O)(O)O
InChIInChI=1S/C9H23NO3Si.C6H17NO3Si.C3H11NO3Si/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;4-2-1-3-8(5,6)7/h4-10H2,1-3H3;4-7H2,1-3H3;5-7H,1-4H2
InChIKeyNMFHEFZRODBWHC-UHFFFAOYSA-N
XLogP-0.15
TPSA194.13 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500537.88
LogP ≤ 5-0.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
The IUPAC name of 3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine (CID 87589714) is 3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for 3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
The canonical SMILES for 3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine is CCO[Si](CCCN)(OCC)OCC.CO[Si](CCCN)(OC)OC.NCCC[Si](O)(O)O.
What is the InChIKey of 3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
The InChIKey is NMFHEFZRODBWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3Si.C6H17NO3Si.C3H11NO3Si/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;4-2-1-3-8(5,6)7/h4-10H2,1-3H3;4-7H2,1-3H3;5-7H,1-4H2.
What are the key properties of 3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine has a molecular weight of 537.88 g/mol, XLogP of -0.15, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropan-1-amine;3-trihydroxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 87589714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).