4-N-(trimethylsilylmethoxy)benzene-1,4-diamine

C10H18N2OSi — CID 139950346

IUPAC4-N-(trimethylsilylmethoxy)benzene-1,4-diamine
SMILESC[Si](C)(C)CONc1ccc(N)cc1
InChIInChI=1S/C10H18N2OSi/c1-14(2,3)8-13-12-10-6-4-9(11)5-7-10/h4-7,12H,8,11H2,1-3H3
InChIKeyJXKGCBFVABBBIA-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.49
Rot. Bonds4

About 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine

4-N-(trimethylsilylmethoxy)benzene-1,4-diamine (PubChem CID 139950346) has the molecular formula C10H18N2OSi and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(trimethylsilylmethoxy)benzene-1,4-diamine
PubChem CID139950346
Molecular FormulaC10H18N2OSi
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-N-(trimethylsilylmethoxy)benzene-1,4-diamine
SMILESC[Si](C)(C)CONc1ccc(N)cc1
InChIInChI=1S/C10H18N2OSi/c1-14(2,3)8-13-12-10-6-4-9(11)5-7-10/h4-7,12H,8,11H2,1-3H3
InChIKeyJXKGCBFVABBBIA-UHFFFAOYSA-N
XLogP2.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine?
The IUPAC name of 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine (CID 139950346) is 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine?
The canonical SMILES for 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine is C[Si](C)(C)CONc1ccc(N)cc1.
What is the InChIKey of 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine?
The InChIKey is JXKGCBFVABBBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OSi/c1-14(2,3)8-13-12-10-6-4-9(11)5-7-10/h4-7,12H,8,11H2,1-3H3.
What are the key properties of 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine?
4-N-(trimethylsilylmethoxy)benzene-1,4-diamine has a molecular weight of 210.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(trimethylsilylmethoxy)benzene-1,4-diamine is sourced from PubChem (CID 139950346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).