5-(silyloxymethyl)benzene-1,3-diamine

C7H12N2OSi — CID 163719021

IUPAC5-(silyloxymethyl)benzene-1,3-diamine
SMILESNc1cc(N)cc(CO[SiH3])c1
InChIInChI=1S/C7H12N2OSi/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3H,4,8-9H2,11H3
InChIKeyKPWGQRUOJXWJSU-UHFFFAOYSA-N
MW168.27 g/mol
LogP-0.35
Rot. Bonds2

About 5-(silyloxymethyl)benzene-1,3-diamine

5-(silyloxymethyl)benzene-1,3-diamine (PubChem CID 163719021) has the molecular formula C7H12N2OSi and a molecular weight of 168.27 g/mol. Its IUPAC name is 5-(silyloxymethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(silyloxymethyl)benzene-1,3-diamine
PubChem CID163719021
Molecular FormulaC7H12N2OSi
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name5-(silyloxymethyl)benzene-1,3-diamine
SMILESNc1cc(N)cc(CO[SiH3])c1
InChIInChI=1S/C7H12N2OSi/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3H,4,8-9H2,11H3
InChIKeyKPWGQRUOJXWJSU-UHFFFAOYSA-N
XLogP-0.35
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 5-0.35
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-(silyloxymethyl)benzene-1,3-diamine?
The IUPAC name of 5-(silyloxymethyl)benzene-1,3-diamine (CID 163719021) is 5-(silyloxymethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-(silyloxymethyl)benzene-1,3-diamine?
The canonical SMILES for 5-(silyloxymethyl)benzene-1,3-diamine is Nc1cc(N)cc(CO[SiH3])c1.
What is the InChIKey of 5-(silyloxymethyl)benzene-1,3-diamine?
The InChIKey is KPWGQRUOJXWJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OSi/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3H,4,8-9H2,11H3.
What are the key properties of 5-(silyloxymethyl)benzene-1,3-diamine?
5-(silyloxymethyl)benzene-1,3-diamine has a molecular weight of 168.27 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(silyloxymethyl)benzene-1,3-diamine is sourced from PubChem (CID 163719021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).