3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane

C18H34N2O3Si — CID 141226217

IUPAC3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCn1cc2nc1CCCCCC2)(OCC)OCC
InChIInChI=1S/C18H34N2O3Si/c1-4-21-24(22-5-2,23-6-3)15-11-14-20-16-17-12-9-7-8-10-13-18(20)19-17/h16H,4-15H2,1-3H3
InChIKeyZRCXSZYCFSJLHG-UHFFFAOYSA-N
MW354.57 g/mol
LogP3.98
Rot. Bonds10

About 3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane

3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane (PubChem CID 141226217) has the molecular formula C18H34N2O3Si and a molecular weight of 354.57 g/mol. Its IUPAC name is 3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane
PubChem CID141226217
Molecular FormulaC18H34N2O3Si
Molecular Weight354.57 g/mol
Exact Mass354.23
IUPAC Name3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCn1cc2nc1CCCCCC2)(OCC)OCC
InChIInChI=1S/C18H34N2O3Si/c1-4-21-24(22-5-2,23-6-3)15-11-14-20-16-17-12-9-7-8-10-13-18(20)19-17/h16H,4-15H2,1-3H3
InChIKeyZRCXSZYCFSJLHG-UHFFFAOYSA-N
XLogP3.98
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane?
The IUPAC name of 3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane (CID 141226217) is 3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane.
What is the SMILES notation for 3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane?
The canonical SMILES for 3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane is CCO[Si](CCCn1cc2nc1CCCCCC2)(OCC)OCC.
What is the InChIKey of 3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane?
The InChIKey is ZRCXSZYCFSJLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3Si/c1-4-21-24(22-5-2,23-6-3)15-11-14-20-16-17-12-9-7-8-10-13-18(20)19-17/h16H,4-15H2,1-3H3.
What are the key properties of 3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane?
3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane has a molecular weight of 354.57 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-dien-9-yl)propyl-triethoxysilane is sourced from PubChem (CID 141226217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).