CID 67277559

C12H17N2Si — CID 67277559

IUPAC—
SMILESC=C([Si])c1cccc(NCC)c1NCC
InChIInChI=1S/C12H17N2Si/c1-4-13-11-8-6-7-10(9(3)15)12(11)14-5-2/h6-8,13-14H,3-5H2,1-2H3
InChIKeyVSAZTSUIEDBWIB-UHFFFAOYSA-N
MW217.37 g/mol
LogP2.69
Rot. Bonds5

About CID 67277559

CID 67277559 (PubChem CID 67277559) has the molecular formula C12H17N2Si and a molecular weight of 217.37 g/mol.

Molecular Properties

Compound NameCID 67277559
PubChem CID67277559
Molecular FormulaC12H17N2Si
Molecular Weight217.37 g/mol
Exact Mass217.12
IUPAC Name—
SMILESC=C([Si])c1cccc(NCC)c1NCC
InChIInChI=1S/C12H17N2Si/c1-4-13-11-8-6-7-10(9(3)15)12(11)14-5-2/h6-8,13-14H,3-5H2,1-2H3
InChIKeyVSAZTSUIEDBWIB-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 67277559?
The IUPAC name of CID 67277559 (CID 67277559) is not available.
What is the SMILES notation for CID 67277559?
The canonical SMILES for CID 67277559 is C=C([Si])c1cccc(NCC)c1NCC.
What is the InChIKey of CID 67277559?
The InChIKey is VSAZTSUIEDBWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2Si/c1-4-13-11-8-6-7-10(9(3)15)12(11)14-5-2/h6-8,13-14H,3-5H2,1-2H3.
What are the key properties of CID 67277559?
CID 67277559 has a molecular weight of 217.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67277559 is sourced from PubChem (CID 67277559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).