[amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride

C₁₀H₁₆ClN₅ — CID 163325156

About [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride

[amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride (PubChem CID 163325156) has the molecular formula C₁₀H₁₆ClN₅ and a molecular weight of 241.73 g/mol. Its IUPAC name is [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride.

Molecular Properties

• Compound Name: [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride
• PubChem CID: 163325156
• Molecular Formula: C₁₀H₁₆ClN₅
• Molecular Weight: 241.73 g/mol
• Exact Mass: 241.11
• IUPAC Name: [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride
• SMILES: CC/[N+](=C(/N)N=C(N)N)c1ccccc1.[Cl-]
• InChI: InChI=1S/C10H15N5.ClH/c1-2-15(10(13)14-9(11)12)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H5,11,12,13,14);1H
• InChIKey: FYHMJIORIOSNTG-UHFFFAOYSA-N
• XLogP: -3.06
• TPSA: 93.43 Ų
• H-Bond Donors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.73
LogP ≤ 5	-3.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride?

The IUPAC name of [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride (CID 163325156) is [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride.

What is the SMILES notation for [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride?

The canonical SMILES for [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride is CC/[N+](=C(/N)N=C(N)N)c1ccccc1.[Cl-].

What is the InChIKey of [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride?

The InChIKey is FYHMJIORIOSNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.ClH/c1-2-15(10(13)14-9(11)12)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H5,11,12,13,14);1H.

What are the key properties of [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride?

[amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride has a molecular weight of 241.73 g/mol, XLogP of -3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride is sourced from PubChem (CID 163325156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163325156 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.