6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine

C15H25ClN2OSi — CID 156802916

IUPAC6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC1(c2ncc(N)cc2Cl)CCC1
InChIInChI=1S/C15H25ClN2OSi/c1-14(2,3)20(4,5)19-15(7-6-8-15)13-12(16)9-11(17)10-18-13/h9-10H,6-8,17H2,1-5H3
InChIKeyXIERYBSOKWUXNS-UHFFFAOYSA-N
MW312.92 g/mol
LogP4.72
Rot. Bonds3

About 6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine

6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine (PubChem CID 156802916) has the molecular formula C15H25ClN2OSi and a molecular weight of 312.92 g/mol. Its IUPAC name is 6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine.

Molecular Properties

Compound Name6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine
PubChem CID156802916
Molecular FormulaC15H25ClN2OSi
Molecular Weight312.92 g/mol
Exact Mass312.14
IUPAC Name6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC1(c2ncc(N)cc2Cl)CCC1
InChIInChI=1S/C15H25ClN2OSi/c1-14(2,3)20(4,5)19-15(7-6-8-15)13-12(16)9-11(17)10-18-13/h9-10H,6-8,17H2,1-5H3
InChIKeyXIERYBSOKWUXNS-UHFFFAOYSA-N
XLogP4.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine?
The IUPAC name of 6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine (CID 156802916) is 6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine.
What is the SMILES notation for 6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine?
The canonical SMILES for 6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine is CC(C)(C)[Si](C)(C)OC1(c2ncc(N)cc2Cl)CCC1.
What is the InChIKey of 6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine?
The InChIKey is XIERYBSOKWUXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2OSi/c1-14(2,3)20(4,5)19-15(7-6-8-15)13-12(16)9-11(17)10-18-13/h9-10H,6-8,17H2,1-5H3.
What are the key properties of 6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine?
6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine has a molecular weight of 312.92 g/mol, XLogP of 4.72, 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]oxycyclobutyl]-5-chloropyridin-3-amine is sourced from PubChem (CID 156802916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).