2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane

C14H29NO3Si — CID 156703702

IUPAC2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane
SMILESCCO[Si](CCC1CCC2NC2C1)(OCC)OCC
InChIInChI=1S/C14H29NO3Si/c1-4-16-19(17-5-2,18-6-3)10-9-12-7-8-13-14(11-12)15-13/h12-15H,4-11H2,1-3H3
InChIKeyZEIAKFIBCFUXMK-UHFFFAOYSA-N
MW287.48 g/mol
LogP2.57
Rot. Bonds9

About 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane

2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane (PubChem CID 156703702) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane.

Molecular Properties

Compound Name2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane
PubChem CID156703702
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC Name2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane
SMILESCCO[Si](CCC1CCC2NC2C1)(OCC)OCC
InChIInChI=1S/C14H29NO3Si/c1-4-16-19(17-5-2,18-6-3)10-9-12-7-8-13-14(11-12)15-13/h12-15H,4-11H2,1-3H3
InChIKeyZEIAKFIBCFUXMK-UHFFFAOYSA-N
XLogP2.57
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
2-methoxy-4-(2-triethoxysilylethyl)cyclohexan-1-ol
CID 141485190
triethoxy-[3-[2-[2-(2-triethoxysilylethyl)-5-[2-(3-triethoxysilylpropyldisulfanyl)ethyl]cyclohexyl]ethyldisulfanyl]propyl]silane
CID 87112069
triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane
CID 87112047
triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
CID 87139969
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
S-[2-[2-(2-acetylsulfanylethyl)-4-(2-triethoxysilylethyl)cyclohexyl]ethyl] ethanethioate
CID 88876874
triethoxy(3-piperidin-3-ylpropyl)silane
CID 141175245
triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
CID 140798704
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
CID 124925724
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 160966529

Frequently Asked Questions

What is the IUPAC name of 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane?
The IUPAC name of 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane (CID 156703702) is 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane.
What is the SMILES notation for 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane?
The canonical SMILES for 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane is CCO[Si](CCC1CCC2NC2C1)(OCC)OCC.
What is the InChIKey of 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane?
The InChIKey is ZEIAKFIBCFUXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-4-16-19(17-5-2,18-6-3)10-9-12-7-8-13-14(11-12)15-13/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane?
2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane has a molecular weight of 287.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane is sourced from PubChem (CID 156703702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).