CID 59114033

C5H14N2OSi — CID 59114033

IUPAC
SMILESCO[Si]CCNCCN
InChIInChI=1S/C5H14N2OSi/c1-8-9-5-4-7-3-2-6/h7H,2-6H2,1H3
InChIKeyZKNNDQIDJHNAPA-UHFFFAOYSA-N
MW146.27 g/mol
LogP-0.78
Rot. Bonds6

About CID 59114033

CID 59114033 (PubChem CID 59114033) has the molecular formula C5H14N2OSi and a molecular weight of 146.27 g/mol.

Molecular Properties

Compound NameCID 59114033
PubChem CID59114033
Molecular FormulaC5H14N2OSi
Molecular Weight146.27 g/mol
Exact Mass146.09
IUPAC Name
SMILESCO[Si]CCNCCN
InChIInChI=1S/C5H14N2OSi/c1-8-9-5-4-7-3-2-6/h7H,2-6H2,1H3
InChIKeyZKNNDQIDJHNAPA-UHFFFAOYSA-N
XLogP-0.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59114033?
The IUPAC name of CID 59114033 (CID 59114033) is not available.
What is the SMILES notation for CID 59114033?
The canonical SMILES for CID 59114033 is CO[Si]CCNCCN.
What is the InChIKey of CID 59114033?
The InChIKey is ZKNNDQIDJHNAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2OSi/c1-8-9-5-4-7-3-2-6/h7H,2-6H2,1H3.
What are the key properties of CID 59114033?
CID 59114033 has a molecular weight of 146.27 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59114033 is sourced from PubChem (CID 59114033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).