1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine

C12H30N2O3Si — CID 89239670

IUPAC1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine
SMILESCCO[Si](CC(CC)NC(C)N)(OCC)OCC
InChIInChI=1S/C12H30N2O3Si/c1-6-12(14-11(5)13)10-18(15-7-2,16-8-3)17-9-4/h11-12,14H,6-10,13H2,1-5H3
InChIKeyUWMKINWHADBXLS-UHFFFAOYSA-N
MW278.47 g/mol
LogP1.71
Rot. Bonds11

About 1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine

1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine (PubChem CID 89239670) has the molecular formula C12H30N2O3Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine
PubChem CID89239670
Molecular FormulaC12H30N2O3Si
Molecular Weight278.47 g/mol
Exact Mass278.20
IUPAC Name1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine
SMILESCCO[Si](CC(CC)NC(C)N)(OCC)OCC
InChIInChI=1S/C12H30N2O3Si/c1-6-12(14-11(5)13)10-18(15-7-2,16-8-3)17-9-4/h11-12,14H,6-10,13H2,1-5H3
InChIKeyUWMKINWHADBXLS-UHFFFAOYSA-N
XLogP1.71
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine (CID 89239670) is 1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine is CCO[Si](CC(CC)NC(C)N)(OCC)OCC.
What is the InChIKey of 1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine?
The InChIKey is UWMKINWHADBXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O3Si/c1-6-12(14-11(5)13)10-18(15-7-2,16-8-3)17-9-4/h11-12,14H,6-10,13H2,1-5H3.
What are the key properties of 1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine?
1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine has a molecular weight of 278.47 g/mol, XLogP of 1.71, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-triethoxysilylbutan-2-yl)ethane-1,1-diamine is sourced from PubChem (CID 89239670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).