6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine

C15H24F2N2OSi — CID 155595476

IUPAC6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(N)cn2)CC(F)(F)C1
InChIInChI=1S/C15H24F2N2OSi/c1-13(2,3)21(4,5)20-14(9-15(16,17)10-14)12-7-6-11(18)8-19-12/h6-8H,9-10,18H2,1-5H3
InChIKeyCKIBOSJMPUGINV-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.31
Rot. Bonds3

About 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine

6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine (PubChem CID 155595476) has the molecular formula C15H24F2N2OSi and a molecular weight of 314.45 g/mol. Its IUPAC name is 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine
PubChem CID155595476
Molecular FormulaC15H24F2N2OSi
Molecular Weight314.45 g/mol
Exact Mass314.16
IUPAC Name6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(N)cn2)CC(F)(F)C1
InChIInChI=1S/C15H24F2N2OSi/c1-13(2,3)21(4,5)20-14(9-15(16,17)10-14)12-7-6-11(18)8-19-12/h6-8H,9-10,18H2,1-5H3
InChIKeyCKIBOSJMPUGINV-UHFFFAOYSA-N
XLogP4.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine 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 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine?
The IUPAC name of 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine (CID 155595476) is 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine.
What is the SMILES notation for 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine?
The canonical SMILES for 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine is CC(C)(C)[Si](C)(C)OC1(c2ccc(N)cn2)CC(F)(F)C1.
What is the InChIKey of 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine?
The InChIKey is CKIBOSJMPUGINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2OSi/c1-13(2,3)21(4,5)20-14(9-15(16,17)10-14)12-7-6-11(18)8-19-12/h6-8H,9-10,18H2,1-5H3.
What are the key properties of 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine?
6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine has a molecular weight of 314.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorocyclobutyl]pyridin-3-amine is sourced from PubChem (CID 155595476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).