CID 136644346

C14H18N3OSi — CID 136644346

IUPAC—
SMILESC/C(=N\Cc1ccccc1O[Si](C)C)c1ccn[nH]1
InChIInChI=1S/C14H18N3OSi/c1-11(13-8-9-16-17-13)15-10-12-6-4-5-7-14(12)18-19(2)3/h4-9H,10H2,1-3H3,(H,16,17)/b15-11+
InChIKeyXTYATCXNGQPSDC-RVDMUPIBSA-N
MW272.40 g/mol
LogP3.05
Rot. Bonds5

About CID 136644346

CID 136644346 (PubChem CID 136644346) has the molecular formula C14H18N3OSi and a molecular weight of 272.40 g/mol.

Molecular Properties

Compound NameCID 136644346
PubChem CID136644346
Molecular FormulaC14H18N3OSi
Molecular Weight272.40 g/mol
Exact Mass272.12
IUPAC Name—
SMILESC/C(=N\Cc1ccccc1O[Si](C)C)c1ccn[nH]1
InChIInChI=1S/C14H18N3OSi/c1-11(13-8-9-16-17-13)15-10-12-6-4-5-7-14(12)18-19(2)3/h4-9H,10H2,1-3H3,(H,16,17)/b15-11+
InChIKeyXTYATCXNGQPSDC-RVDMUPIBSA-N
XLogP3.05
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 136644346?
The IUPAC name of CID 136644346 (CID 136644346) is not available.
What is the SMILES notation for CID 136644346?
The canonical SMILES for CID 136644346 is C/C(=N\Cc1ccccc1O[Si](C)C)c1ccn[nH]1.
What is the InChIKey of CID 136644346?
The InChIKey is XTYATCXNGQPSDC-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H18N3OSi/c1-11(13-8-9-16-17-13)15-10-12-6-4-5-7-14(12)18-19(2)3/h4-9H,10H2,1-3H3,(H,16,17)/b15-11+.
What are the key properties of CID 136644346?
CID 136644346 has a molecular weight of 272.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136644346 is sourced from PubChem (CID 136644346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).