[dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate

C9H21N3O2 — CID 155716428

IUPAC[dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate
SMILESCCC(=O)[O-].CNC(N(C)C)=[N+](C)C
InChIInChI=1S/C6H15N3.C3H6O2/c1-7-6(8(2)3)9(4)5;1-2-3(4)5/h1-5H3;2H2,1H3,(H,4,5)
InChIKeyRLWVPNVNKOPPLV-UHFFFAOYSA-N
MW203.29 g/mol
LogP-1.46
Rot. Bonds1

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 CID155716428
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name[dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate
SMILESCCC(=O)[O-].CNC(N(C)C)=[N+](C)C
InChIInChI=1S/C6H15N3.C3H6O2/c1-7-6(8(2)3)9(4)5;1-2-3(4)5/h1-5H3;2H2,1H3,(H,4,5)
InChIKeyRLWVPNVNKOPPLV-UHFFFAOYSA-N
XLogP-1.46
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze [dimethylamino(methylamino)methylidene]-dimethylazanium;propanoate with MolForge

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

Launch Full Analysis

Related Compounds

[[ethyl(methyl)amino]-(methylamino)methylidene]-dimethylazanium
CID 87811243
propanoate;hydrate
CID 19032208
propanoate;tin(4+)
CID 167712674
propanoate;uranium(4+)
CID 51035197
propanoate;rubidium(1+)
CID 23716263
CID 57352970
CID 57352970
copper(1+);propanoate
CID 22149607
europium(2+);propanoate
CID 88778777
indium(1+);propanoate
CID 101213769
trisodium;propanoate
CID 86625665
[dimethylamino(ethylamino)methylidene]-dimethylazanium tetrafluoroborate
CID 131729405
bis(cobalt(2+));propanoate;diacetate
CID 173406713

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).