CID 68623735

C12H21N2OSi — CID 68623735

IUPAC—
SMILESC[Si](C)OC(c1ccc(N)cn1)C(C)(C)C
InChIInChI=1S/C12H21N2OSi/c1-12(2,3)11(15-16(4)5)10-7-6-9(13)8-14-10/h6-8,11H,13H2,1-5H3
InChIKeyJTCUFVQOJMQMBY-UHFFFAOYSA-N
MW237.40 g/mol
LogP3.02
Rot. Bonds3

About CID 68623735

CID 68623735 (PubChem CID 68623735) has the molecular formula C12H21N2OSi and a molecular weight of 237.40 g/mol.

Molecular Properties

Compound NameCID 68623735
PubChem CID68623735
Molecular FormulaC12H21N2OSi
Molecular Weight237.40 g/mol
Exact Mass237.14
IUPAC Name—
SMILESC[Si](C)OC(c1ccc(N)cn1)C(C)(C)C
InChIInChI=1S/C12H21N2OSi/c1-12(2,3)11(15-16(4)5)10-7-6-9(13)8-14-10/h6-8,11H,13H2,1-5H3
InChIKeyJTCUFVQOJMQMBY-UHFFFAOYSA-N
XLogP3.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 CID 68623735?
The IUPAC name of CID 68623735 (CID 68623735) is not available.
What is the SMILES notation for CID 68623735?
The canonical SMILES for CID 68623735 is C[Si](C)OC(c1ccc(N)cn1)C(C)(C)C.
What is the InChIKey of CID 68623735?
The InChIKey is JTCUFVQOJMQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2OSi/c1-12(2,3)11(15-16(4)5)10-7-6-9(13)8-14-10/h6-8,11H,13H2,1-5H3.
What are the key properties of CID 68623735?
CID 68623735 has a molecular weight of 237.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68623735 is sourced from PubChem (CID 68623735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).