5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine

C15H26FN3OSi — CID 165177721

IUPAC5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCC1(F)CN(c2ccc(N)nc2)C1
InChIInChI=1S/C15H26FN3OSi/c1-14(2,3)21(4,5)20-11-15(16)9-19(10-15)12-6-7-13(17)18-8-12/h6-8H,9-11H2,1-5H3,(H2,17,18)
InChIKeySSQPWRJHFSAOKZ-UHFFFAOYSA-N
MW311.48 g/mol
LogP3.21
Rot. Bonds4

About 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine

5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine (PubChem CID 165177721) has the molecular formula C15H26FN3OSi and a molecular weight of 311.48 g/mol. Its IUPAC name is 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine
PubChem CID165177721
Molecular FormulaC15H26FN3OSi
Molecular Weight311.48 g/mol
Exact Mass311.18
IUPAC Name5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCC1(F)CN(c2ccc(N)nc2)C1
InChIInChI=1S/C15H26FN3OSi/c1-14(2,3)21(4,5)20-11-15(16)9-19(10-15)12-6-7-13(17)18-8-12/h6-8H,9-11H2,1-5H3,(H2,17,18)
InChIKeySSQPWRJHFSAOKZ-UHFFFAOYSA-N
XLogP3.21
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine (CID 165177721) is 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine is CC(C)(C)[Si](C)(C)OCC1(F)CN(c2ccc(N)nc2)C1.
What is the InChIKey of 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine?
The InChIKey is SSQPWRJHFSAOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3OSi/c1-14(2,3)21(4,5)20-11-15(16)9-19(10-15)12-6-7-13(17)18-8-12/h6-8H,9-11H2,1-5H3,(H2,17,18).
What are the key properties of 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine?
5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine has a molecular weight of 311.48 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoroazetidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 165177721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).