CID 69284773

C20H27N3Se+ — CID 69284773

IUPAC—
SMILESCCN(CC)c1ccc2c(c1)[Se+]c1cc(N(CC)CC)ccc1N2
InChIInChI=1S/C20H27N3Se/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17/h9-14,21H,5-8H2,1-4H3/q+1
InChIKeyXVXBXZYCZCNLHK-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.09
Rot. Bonds6

About CID 69284773

CID 69284773 (PubChem CID 69284773) has the molecular formula C20H27N3Se+ and a molecular weight of 388.42 g/mol.

Molecular Properties

Compound NameCID 69284773
PubChem CID69284773
Molecular FormulaC20H27N3Se+
Molecular Weight388.42 g/mol
Exact Mass389.14
IUPAC Name—
SMILESCCN(CC)c1ccc2c(c1)[Se+]c1cc(N(CC)CC)ccc1N2
InChIInChI=1S/C20H27N3Se/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17/h9-14,21H,5-8H2,1-4H3/q+1
InChIKeyXVXBXZYCZCNLHK-UHFFFAOYSA-N
XLogP3.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.09
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 69284773?
The IUPAC name of CID 69284773 (CID 69284773) is not available.
What is the SMILES notation for CID 69284773?
The canonical SMILES for CID 69284773 is CCN(CC)c1ccc2c(c1)[Se+]c1cc(N(CC)CC)ccc1N2.
What is the InChIKey of CID 69284773?
The InChIKey is XVXBXZYCZCNLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3Se/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17/h9-14,21H,5-8H2,1-4H3/q+1.
What are the key properties of CID 69284773?
CID 69284773 has a molecular weight of 388.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69284773 is sourced from PubChem (CID 69284773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).