CID 87336095

C5H13N2Si — CID 87336095

IUPAC—
SMILESCCNC([Si])NCC
InChIInChI=1S/C5H13N2Si/c1-3-6-5(8)7-4-2/h5-7H,3-4H2,1-2H3
InChIKeyAQRUZCQRZKEZPQ-UHFFFAOYSA-N
MW129.26 g/mol
LogP-0.34
Rot. Bonds4

About CID 87336095

CID 87336095 (PubChem CID 87336095) has the molecular formula C5H13N2Si and a molecular weight of 129.26 g/mol.

Molecular Properties

Compound NameCID 87336095
PubChem CID87336095
Molecular FormulaC5H13N2Si
Molecular Weight129.26 g/mol
Exact Mass129.08
IUPAC Name—
SMILESCCNC([Si])NCC
InChIInChI=1S/C5H13N2Si/c1-3-6-5(8)7-4-2/h5-7H,3-4H2,1-2H3
InChIKeyAQRUZCQRZKEZPQ-UHFFFAOYSA-N
XLogP-0.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87336095?
The IUPAC name of CID 87336095 (CID 87336095) is not available.
What is the SMILES notation for CID 87336095?
The canonical SMILES for CID 87336095 is CCNC([Si])NCC.
What is the InChIKey of CID 87336095?
The InChIKey is AQRUZCQRZKEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2Si/c1-3-6-5(8)7-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of CID 87336095?
CID 87336095 has a molecular weight of 129.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87336095 is sourced from PubChem (CID 87336095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).