4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine

C17H30F2N2O2Si — CID 156678329

IUPAC4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine
SMILESCC(C)c1nccc(OCC(F)(F)CO[Si](C)(C)C(C)(C)C)c1N
InChIInChI=1S/C17H30F2N2O2Si/c1-12(2)15-14(20)13(8-9-21-15)22-10-17(18,19)11-23-24(6,7)16(3,4)5/h8-9,12H,10-11,20H2,1-7H3
InChIKeyXKPYIDQQPYWTKL-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.82
Rot. Bonds7

About 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine

4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine (PubChem CID 156678329) has the molecular formula C17H30F2N2O2Si and a molecular weight of 360.52 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine
PubChem CID156678329
Molecular FormulaC17H30F2N2O2Si
Molecular Weight360.52 g/mol
Exact Mass360.20
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine
SMILESCC(C)c1nccc(OCC(F)(F)CO[Si](C)(C)C(C)(C)C)c1N
InChIInChI=1S/C17H30F2N2O2Si/c1-12(2)15-14(20)13(8-9-21-15)22-10-17(18,19)11-23-24(6,7)16(3,4)5/h8-9,12H,10-11,20H2,1-7H3
InChIKeyXKPYIDQQPYWTKL-UHFFFAOYSA-N
XLogP4.82
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.82
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 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine (CID 156678329) is 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine is CC(C)c1nccc(OCC(F)(F)CO[Si](C)(C)C(C)(C)C)c1N.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine?
The InChIKey is XKPYIDQQPYWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N2O2Si/c1-12(2)15-14(20)13(8-9-21-15)22-10-17(18,19)11-23-24(6,7)16(3,4)5/h8-9,12H,10-11,20H2,1-7H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine?
4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine has a molecular weight of 360.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropoxy]-2-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 156678329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).