CID 174402898

C14H23N2O2Si — CID 174402898

IUPAC—
SMILESCO[Si](OC)N1CCCCC1c1cccc(CN)c1
InChIInChI=1S/C14H23N2O2Si/c1-17-19(18-2)16-9-4-3-8-14(16)13-7-5-6-12(10-13)11-15/h5-7,10,14H,3-4,8-9,11,15H2,1-2H3
InChIKeyBSSISWYJECCUFG-UHFFFAOYSA-N
MW279.44 g/mol
LogP1.95
Rot. Bonds5

About CID 174402898

CID 174402898 (PubChem CID 174402898) has the molecular formula C14H23N2O2Si and a molecular weight of 279.44 g/mol.

Molecular Properties

Compound NameCID 174402898
PubChem CID174402898
Molecular FormulaC14H23N2O2Si
Molecular Weight279.44 g/mol
Exact Mass279.15
IUPAC Name—
SMILESCO[Si](OC)N1CCCCC1c1cccc(CN)c1
InChIInChI=1S/C14H23N2O2Si/c1-17-19(18-2)16-9-4-3-8-14(16)13-7-5-6-12(10-13)11-15/h5-7,10,14H,3-4,8-9,11,15H2,1-2H3
InChIKeyBSSISWYJECCUFG-UHFFFAOYSA-N
XLogP1.95
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174402898?
The IUPAC name of CID 174402898 (CID 174402898) is not available.
What is the SMILES notation for CID 174402898?
The canonical SMILES for CID 174402898 is CO[Si](OC)N1CCCCC1c1cccc(CN)c1.
What is the InChIKey of CID 174402898?
The InChIKey is BSSISWYJECCUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2O2Si/c1-17-19(18-2)16-9-4-3-8-14(16)13-7-5-6-12(10-13)11-15/h5-7,10,14H,3-4,8-9,11,15H2,1-2H3.
What are the key properties of CID 174402898?
CID 174402898 has a molecular weight of 279.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174402898 is sourced from PubChem (CID 174402898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).