3-N-trimethylsilylbenzene-1,3-diamine

C9H16N2Si — CID 19890119

IUPAC3-N-trimethylsilylbenzene-1,3-diamine
SMILESC[Si](C)(C)Nc1cccc(N)c1
InChIInChI=1S/C9H16N2Si/c1-12(2,3)11-9-6-4-5-8(10)7-9/h4-7,11H,10H2,1-3H3
InChIKeyPZVLVJWSLGPDGX-UHFFFAOYSA-N
MW180.33 g/mol
LogP2.52
Rot. Bonds2

About 3-N-trimethylsilylbenzene-1,3-diamine

3-N-trimethylsilylbenzene-1,3-diamine (PubChem CID 19890119) has the molecular formula C9H16N2Si and a molecular weight of 180.33 g/mol. Its IUPAC name is 3-N-trimethylsilylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-trimethylsilylbenzene-1,3-diamine
PubChem CID19890119
Molecular FormulaC9H16N2Si
Molecular Weight180.33 g/mol
Exact Mass180.11
IUPAC Name3-N-trimethylsilylbenzene-1,3-diamine
SMILESC[Si](C)(C)Nc1cccc(N)c1
InChIInChI=1S/C9H16N2Si/c1-12(2,3)11-9-6-4-5-8(10)7-9/h4-7,11H,10H2,1-3H3
InChIKeyPZVLVJWSLGPDGX-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-N-trimethylsilylbenzene-1,3-diamine?
The IUPAC name of 3-N-trimethylsilylbenzene-1,3-diamine (CID 19890119) is 3-N-trimethylsilylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-trimethylsilylbenzene-1,3-diamine?
The canonical SMILES for 3-N-trimethylsilylbenzene-1,3-diamine is C[Si](C)(C)Nc1cccc(N)c1.
What is the InChIKey of 3-N-trimethylsilylbenzene-1,3-diamine?
The InChIKey is PZVLVJWSLGPDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2Si/c1-12(2,3)11-9-6-4-5-8(10)7-9/h4-7,11H,10H2,1-3H3.
What are the key properties of 3-N-trimethylsilylbenzene-1,3-diamine?
3-N-trimethylsilylbenzene-1,3-diamine has a molecular weight of 180.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-trimethylsilylbenzene-1,3-diamine is sourced from PubChem (CID 19890119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).