3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane

C25H39NOSi — CID 68631394

IUPAC3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane
SMILESCC[Si](C#CCOCC1CCC(c2ccccc2)(N2CCC2)CC1)(CC)CC
InChIInChI=1S/C25H39NOSi/c1-4-28(5-2,6-3)21-11-20-27-22-23-14-16-25(17-15-23,26-18-10-19-26)24-12-8-7-9-13-24/h7-9,12-13,23H,4-6,10,14-20,22H2,1-3H3
InChIKeyAMHMFHJNQPPKRK-UHFFFAOYSA-N
MW397.68 g/mol
LogP5.85
Rot. Bonds8

About 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane

3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane (PubChem CID 68631394) has the molecular formula C25H39NOSi and a molecular weight of 397.68 g/mol. Its IUPAC name is 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane.

Molecular Properties

Compound Name3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane
PubChem CID68631394
Molecular FormulaC25H39NOSi
Molecular Weight397.68 g/mol
Exact Mass397.28
IUPAC Name3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane
SMILESCC[Si](C#CCOCC1CCC(c2ccccc2)(N2CCC2)CC1)(CC)CC
InChIInChI=1S/C25H39NOSi/c1-4-28(5-2,6-3)21-11-20-27-22-23-14-16-25(17-15-23,26-18-10-19-26)24-12-8-7-9-13-24/h7-9,12-13,23H,4-6,10,14-20,22H2,1-3H3
InChIKeyAMHMFHJNQPPKRK-UHFFFAOYSA-N
XLogP5.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.68
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane?
The IUPAC name of 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane (CID 68631394) is 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane.
What is the SMILES notation for 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane?
The canonical SMILES for 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane is CC[Si](C#CCOCC1CCC(c2ccccc2)(N2CCC2)CC1)(CC)CC.
What is the InChIKey of 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane?
The InChIKey is AMHMFHJNQPPKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NOSi/c1-4-28(5-2,6-3)21-11-20-27-22-23-14-16-25(17-15-23,26-18-10-19-26)24-12-8-7-9-13-24/h7-9,12-13,23H,4-6,10,14-20,22H2,1-3H3.
What are the key properties of 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane?
3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane has a molecular weight of 397.68 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(azetidin-1-yl)-4-phenylcyclohexyl]methoxy]prop-1-ynyl-triethylsilane is sourced from PubChem (CID 68631394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).