[dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate

C₉H₂₁N₃O₂ — CID 155716428

About [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate

[dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate (PubChem CID 155716428) has the molecular formula C₉H₂₁N₃O₂ and a molecular weight of 203.29 g/mol. Its IUPAC name is [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate.

Molecular Properties

• Compound Name: [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate
• PubChem CID: 155716428
• Molecular Formula: C₉H₂₁N₃O₂
• Molecular Weight: 203.29 g/mol
• Exact Mass: 203.16
• IUPAC Name: [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate
• SMILES: CCC(=O)[O-].CNC(N(C)C)=[N+](C)C
• InChI: InChI=1S/C6H15N3.C3H6O2/c1-7-6(8(2)3)9(4)5;1-2-3(4)5/h1-5H3;2H2,1H3,(H,4,5)
• InChIKey: RLWVPNVNKOPPLV-UHFFFAOYSA-N
• XLogP: -1.46
• TPSA: 58.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	203.29
LogP ≤ 5	-1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate?

The IUPAC name of [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate (CID 155716428) is [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate.

What is the SMILES notation for [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate?

The canonical SMILES for [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate is CCC(=O)[O-].CNC(N(C)C)=[N+](C)C.

What is the InChIKey of [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate?

The InChIKey is RLWVPNVNKOPPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3.C3H6O2/c1-7-6(8(2)3)9(4)5;1-2-3(4)5/h1-5H3;2H2,1H3,(H,4,5).

What are the key properties of [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate?

[dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate has a molecular weight of 203.29 g/mol, XLogP of -1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate is sourced from PubChem (CID 155716428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155716428 — identifiers, structure, computed properties (public domain)

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