[amino(diethylamino)methylidene]-diethylazanium chloride

C9H22ClN3 — CID 19693196

IUPAC[amino(diethylamino)methylidene]-diethylazanium chloride
SMILESCCN(CC)C(N)=[N+](CC)CC.[Cl-]
InChIInChI=1S/C9H21N3.ClH/c1-5-11(6-2)9(10)12(7-3)8-4;/h10H,5-8H2,1-4H3;1H
InChIKeyRYVFWGLKHATLBT-UHFFFAOYSA-N
MW207.75 g/mol
LogP-2.30
Rot. Bonds4

About [amino(diethylamino)methylidene]-diethylazanium chloride

[amino(diethylamino)methylidene]-diethylazanium chloride (PubChem CID 19693196) has the molecular formula C9H22ClN3 and a molecular weight of 207.75 g/mol. Its IUPAC name is [amino(diethylamino)methylidene]-diethylazanium chloride.

Molecular Properties

Compound Name[amino(diethylamino)methylidene]-diethylazanium chloride
PubChem CID19693196
Molecular FormulaC9H22ClN3
Molecular Weight207.75 g/mol
Exact Mass207.15
IUPAC Name[amino(diethylamino)methylidene]-diethylazanium chloride
SMILESCCN(CC)C(N)=[N+](CC)CC.[Cl-]
InChIInChI=1S/C9H21N3.ClH/c1-5-11(6-2)9(10)12(7-3)8-4;/h10H,5-8H2,1-4H3;1H
InChIKeyRYVFWGLKHATLBT-UHFFFAOYSA-N
XLogP-2.30
TPSA32.27 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.75
LogP ≤ 5-2.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of [amino(diethylamino)methylidene]-diethylazanium chloride?
The IUPAC name of [amino(diethylamino)methylidene]-diethylazanium chloride (CID 19693196) is [amino(diethylamino)methylidene]-diethylazanium chloride.
What is the SMILES notation for [amino(diethylamino)methylidene]-diethylazanium chloride?
The canonical SMILES for [amino(diethylamino)methylidene]-diethylazanium chloride is CCN(CC)C(N)=[N+](CC)CC.[Cl-].
What is the InChIKey of [amino(diethylamino)methylidene]-diethylazanium chloride?
The InChIKey is RYVFWGLKHATLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.ClH/c1-5-11(6-2)9(10)12(7-3)8-4;/h10H,5-8H2,1-4H3;1H.
What are the key properties of [amino(diethylamino)methylidene]-diethylazanium chloride?
[amino(diethylamino)methylidene]-diethylazanium chloride has a molecular weight of 207.75 g/mol, XLogP of -2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(diethylamino)methylidene]-diethylazanium chloride is sourced from PubChem (CID 19693196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).