[dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium

C12H28N3O2+ — CID 22950242

IUPAC[dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium
SMILESCCN(CCOCCOC)C(N(C)C)=[N+](C)C
InChIInChI=1S/C12H28N3O2/c1-7-15(8-9-17-11-10-16-6)12(13(2)3)14(4)5/h7-11H2,1-6H3/q+1
InChIKeyVYNFFMGPZQAPSN-UHFFFAOYSA-N
MW246.37 g/mol
LogP0.16
Rot. Bonds7

About [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium

[dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium (PubChem CID 22950242) has the molecular formula C12H28N3O2+ and a molecular weight of 246.37 g/mol. Its IUPAC name is [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium
PubChem CID22950242
Molecular FormulaC12H28N3O2+
Molecular Weight246.37 g/mol
Exact Mass246.22
IUPAC Name[dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium
SMILESCCN(CCOCCOC)C(N(C)C)=[N+](C)C
InChIInChI=1S/C12H28N3O2/c1-7-15(8-9-17-11-10-16-6)12(13(2)3)14(4)5/h7-11H2,1-6H3/q+1
InChIKeyVYNFFMGPZQAPSN-UHFFFAOYSA-N
XLogP0.16
TPSA27.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium (CID 22950242) is [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium is CCN(CCOCCOC)C(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium?
The InChIKey is VYNFFMGPZQAPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N3O2/c1-7-15(8-9-17-11-10-16-6)12(13(2)3)14(4)5/h7-11H2,1-6H3/q+1.
What are the key properties of [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium?
[dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium has a molecular weight of 246.37 g/mol, XLogP of 0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium is sourced from PubChem (CID 22950242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).