N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide

C17H22HgI4N2S — CID 138399821

IUPACN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
SMILESCC(CN1c2ccccc2Sc2ccccc21)N(C)C.I.I.[Hg+2].[I-].[I-]
InChIInChI=1S/C17H20N2S.Hg.4HI/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;;;;;/h4-11,13H,12H2,1-3H3;;4*1H/q;+2;;;;/p-2
InChIKeyVIJNXISIZZXEGJ-UHFFFAOYSA-L
MW994.65 g/mol
LogP-0.52
Rot. Bonds3

About N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide

N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide (PubChem CID 138399821) has the molecular formula C17H22HgI4N2S and a molecular weight of 994.65 g/mol. Its IUPAC name is N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
PubChem CID138399821
Molecular FormulaC17H22HgI4N2S
Molecular Weight994.65 g/mol
Exact Mass995.74
IUPAC NameN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
SMILESCC(CN1c2ccccc2Sc2ccccc21)N(C)C.I.I.[Hg+2].[I-].[I-]
InChIInChI=1S/C17H20N2S.Hg.4HI/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;;;;;/h4-11,13H,12H2,1-3H3;;4*1H/q;+2;;;;/p-2
InChIKeyVIJNXISIZZXEGJ-UHFFFAOYSA-L
XLogP-0.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500994.65
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide?
The IUPAC name of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide (CID 138399821) is N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide.
What is the SMILES notation for N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide?
The canonical SMILES for N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide is CC(CN1c2ccccc2Sc2ccccc21)N(C)C.I.I.[Hg+2].[I-].[I-].
What is the InChIKey of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide?
The InChIKey is VIJNXISIZZXEGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H20N2S.Hg.4HI/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;;;;;/h4-11,13H,12H2,1-3H3;;4*1H/q;+2;;;;/p-2.
What are the key properties of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide?
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide has a molecular weight of 994.65 g/mol, XLogP of -0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide is sourced from PubChem (CID 138399821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).