CID 22506301

C7H17N2OSi — CID 22506301

IUPAC—
SMILESCC(N)NC1CCC1.CO[Si]
InChIInChI=1S/C6H14N2.CH3OSi/c1-5(7)8-6-3-2-4-6;1-2-3/h5-6,8H,2-4,7H2,1H3;1H3
InChIKeyOWHPSKCAMQLERF-UHFFFAOYSA-N
MW173.31 g/mol
LogP0.15
Rot. Bonds2

About CID 22506301

CID 22506301 (PubChem CID 22506301) has the molecular formula C7H17N2OSi and a molecular weight of 173.31 g/mol.

Molecular Properties

Compound NameCID 22506301
PubChem CID22506301
Molecular FormulaC7H17N2OSi
Molecular Weight173.31 g/mol
Exact Mass173.11
IUPAC Name—
SMILESCC(N)NC1CCC1.CO[Si]
InChIInChI=1S/C6H14N2.CH3OSi/c1-5(7)8-6-3-2-4-6;1-2-3/h5-6,8H,2-4,7H2,1H3;1H3
InChIKeyOWHPSKCAMQLERF-UHFFFAOYSA-N
XLogP0.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 22506301?
The IUPAC name of CID 22506301 (CID 22506301) is not available.
What is the SMILES notation for CID 22506301?
The canonical SMILES for CID 22506301 is CC(N)NC1CCC1.CO[Si].
What is the InChIKey of CID 22506301?
The InChIKey is OWHPSKCAMQLERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.CH3OSi/c1-5(7)8-6-3-2-4-6;1-2-3/h5-6,8H,2-4,7H2,1H3;1H3.
What are the key properties of CID 22506301?
CID 22506301 has a molecular weight of 173.31 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22506301 is sourced from PubChem (CID 22506301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).