1-trimethylsilyloxyazulen-4-amine

C13H17NOSi — CID 102215209

IUPAC1-trimethylsilyloxyazulen-4-amine
SMILESC[Si](C)(C)Oc1ccc2c(N)ccccc1-2
InChIInChI=1S/C13H17NOSi/c1-16(2,3)15-13-9-8-10-11(13)6-4-5-7-12(10)14/h4-9H,14H2,1-3H3
InChIKeyXMCBDALWKMNBAA-UHFFFAOYSA-N
MW231.37 g/mol
LogP3.59
Rot. Bonds2

About 1-trimethylsilyloxyazulen-4-amine

1-trimethylsilyloxyazulen-4-amine (PubChem CID 102215209) has the molecular formula C13H17NOSi and a molecular weight of 231.37 g/mol. Its IUPAC name is 1-trimethylsilyloxyazulen-4-amine.

Molecular Properties

Compound Name1-trimethylsilyloxyazulen-4-amine
PubChem CID102215209
Molecular FormulaC13H17NOSi
Molecular Weight231.37 g/mol
Exact Mass231.11
IUPAC Name1-trimethylsilyloxyazulen-4-amine
SMILESC[Si](C)(C)Oc1ccc2c(N)ccccc1-2
InChIInChI=1S/C13H17NOSi/c1-16(2,3)15-13-9-8-10-11(13)6-4-5-7-12(10)14/h4-9H,14H2,1-3H3
InChIKeyXMCBDALWKMNBAA-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-trimethylsilyloxyazulen-4-amine?
The IUPAC name of 1-trimethylsilyloxyazulen-4-amine (CID 102215209) is 1-trimethylsilyloxyazulen-4-amine.
What is the SMILES notation for 1-trimethylsilyloxyazulen-4-amine?
The canonical SMILES for 1-trimethylsilyloxyazulen-4-amine is C[Si](C)(C)Oc1ccc2c(N)ccccc1-2.
What is the InChIKey of 1-trimethylsilyloxyazulen-4-amine?
The InChIKey is XMCBDALWKMNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSi/c1-16(2,3)15-13-9-8-10-11(13)6-4-5-7-12(10)14/h4-9H,14H2,1-3H3.
What are the key properties of 1-trimethylsilyloxyazulen-4-amine?
1-trimethylsilyloxyazulen-4-amine has a molecular weight of 231.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxyazulen-4-amine is sourced from PubChem (CID 102215209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).