N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine

C15H22N2OSi — CID 177212490

IUPACN-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine
SMILESC[Si](C)(C)C#Cc1ccc(NC2CCCOC2)cn1
InChIInChI=1S/C15H22N2OSi/c1-19(2,3)10-8-13-6-7-14(11-16-13)17-15-5-4-9-18-12-15/h6-7,11,15,17H,4-5,9,12H2,1-3H3
InChIKeyCXDCEPTWRFUUOF-UHFFFAOYSA-N
MW274.44 g/mol
LogP2.90
Rot. Bonds2

About N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine

N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine (PubChem CID 177212490) has the molecular formula C15H22N2OSi and a molecular weight of 274.44 g/mol. Its IUPAC name is N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine
PubChem CID177212490
Molecular FormulaC15H22N2OSi
Molecular Weight274.44 g/mol
Exact Mass274.15
IUPAC NameN-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine
SMILESC[Si](C)(C)C#Cc1ccc(NC2CCCOC2)cn1
InChIInChI=1S/C15H22N2OSi/c1-19(2,3)10-8-13-6-7-14(11-16-13)17-15-5-4-9-18-12-15/h6-7,11,15,17H,4-5,9,12H2,1-3H3
InChIKeyCXDCEPTWRFUUOF-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine?
The IUPAC name of N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine (CID 177212490) is N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine.
What is the SMILES notation for N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine?
The canonical SMILES for N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine is C[Si](C)(C)C#Cc1ccc(NC2CCCOC2)cn1.
What is the InChIKey of N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine?
The InChIKey is CXDCEPTWRFUUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OSi/c1-19(2,3)10-8-13-6-7-14(11-16-13)17-15-5-4-9-18-12-15/h6-7,11,15,17H,4-5,9,12H2,1-3H3.
What are the key properties of N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine?
N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine has a molecular weight of 274.44 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine is sourced from PubChem (CID 177212490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).