1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine

C11H29N3O3Si — CID 87425155

IUPAC1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine
SMILESCCO[Si](CCCNC(C)(N)N)(OCC)OCC
InChIInChI=1S/C11H29N3O3Si/c1-5-15-18(16-6-2,17-7-3)10-8-9-14-11(4,12)13/h14H,5-10,12-13H2,1-4H3
InChIKeyGZQWMCBTKKUXCN-UHFFFAOYSA-N
MW279.46 g/mol
LogP0.61
Rot. Bonds11

About 1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine

1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine (PubChem CID 87425155) has the molecular formula C11H29N3O3Si and a molecular weight of 279.46 g/mol. Its IUPAC name is 1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine.

Molecular Properties

Compound Name1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine
PubChem CID87425155
Molecular FormulaC11H29N3O3Si
Molecular Weight279.46 g/mol
Exact Mass279.20
IUPAC Name1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine
SMILESCCO[Si](CCCNC(C)(N)N)(OCC)OCC
InChIInChI=1S/C11H29N3O3Si/c1-5-15-18(16-6-2,17-7-3)10-8-9-14-11(4,12)13/h14H,5-10,12-13H2,1-4H3
InChIKeyGZQWMCBTKKUXCN-UHFFFAOYSA-N
XLogP0.61
TPSA91.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine?
The IUPAC name of 1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine (CID 87425155) is 1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine.
What is the SMILES notation for 1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine?
The canonical SMILES for 1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine is CCO[Si](CCCNC(C)(N)N)(OCC)OCC.
What is the InChIKey of 1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine?
The InChIKey is GZQWMCBTKKUXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H29N3O3Si/c1-5-15-18(16-6-2,17-7-3)10-8-9-14-11(4,12)13/h14H,5-10,12-13H2,1-4H3.
What are the key properties of 1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine?
1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine has a molecular weight of 279.46 g/mol, XLogP of 0.61, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine is sourced from PubChem (CID 87425155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).