5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine

C13H24N2OSi — CID 71429023

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(N)cc(N)c1
InChIInChI=1S/C13H24N2OSi/c1-13(2,3)17(4,5)16-9-10-6-11(14)8-12(15)7-10/h6-8H,9,14-15H2,1-5H3
InChIKeyBXHWFTGEQXIWEK-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.37
Rot. Bonds3

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine

5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine (PubChem CID 71429023) has the molecular formula C13H24N2OSi and a molecular weight of 252.43 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
PubChem CID71429023
Molecular FormulaC13H24N2OSi
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(N)cc(N)c1
InChIInChI=1S/C13H24N2OSi/c1-13(2,3)17(4,5)16-9-10-6-11(14)8-12(15)7-10/h6-8H,9,14-15H2,1-5H3
InChIKeyBXHWFTGEQXIWEK-UHFFFAOYSA-N
XLogP3.37
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine (CID 71429023) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine is CC(C)(C)[Si](C)(C)OCc1cc(N)cc(N)c1.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine?
The InChIKey is BXHWFTGEQXIWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OSi/c1-13(2,3)17(4,5)16-9-10-6-11(14)8-12(15)7-10/h6-8H,9,14-15H2,1-5H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine is sourced from PubChem (CID 71429023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).