bis(dimethylamino)methylidene-dimethylazanium chloride

C7H18ClN3 — CID 10171284

IUPACbis(dimethylamino)methylidene-dimethylazanium chloride
SMILESCN(C)C(N(C)C)=[N+](C)C.[Cl-]
InChIInChI=1S/C7H18N3.ClH/c1-8(2)7(9(3)4)10(5)6;/h1-6H3;1H/q+1;/p-1
InChIKeyWKHWMSFGRUVCNP-UHFFFAOYSA-M
MW179.69 g/mol
LogP-3.26
Rot. Bonds

About bis(dimethylamino)methylidene-dimethylazanium chloride

bis(dimethylamino)methylidene-dimethylazanium chloride (PubChem CID 10171284) has the molecular formula C7H18ClN3 and a molecular weight of 179.69 g/mol. Its IUPAC name is bis(dimethylamino)methylidene-dimethylazanium chloride.

Molecular Properties

Compound Namebis(dimethylamino)methylidene-dimethylazanium chloride
PubChem CID10171284
Molecular FormulaC7H18ClN3
Molecular Weight179.69 g/mol
Exact Mass179.12
IUPAC Namebis(dimethylamino)methylidene-dimethylazanium chloride
SMILESCN(C)C(N(C)C)=[N+](C)C.[Cl-]
InChIInChI=1S/C7H18N3.ClH/c1-8(2)7(9(3)4)10(5)6;/h1-6H3;1H/q+1;/p-1
InChIKeyWKHWMSFGRUVCNP-UHFFFAOYSA-M
XLogP-3.26
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-3.26
H-Bond Donors ≤ 50
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 bis(dimethylamino)methylidene-dimethylazanium chloride?
The IUPAC name of bis(dimethylamino)methylidene-dimethylazanium chloride (CID 10171284) is bis(dimethylamino)methylidene-dimethylazanium chloride.
What is the SMILES notation for bis(dimethylamino)methylidene-dimethylazanium chloride?
The canonical SMILES for bis(dimethylamino)methylidene-dimethylazanium chloride is CN(C)C(N(C)C)=[N+](C)C.[Cl-].
What is the InChIKey of bis(dimethylamino)methylidene-dimethylazanium chloride?
The InChIKey is WKHWMSFGRUVCNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N3.ClH/c1-8(2)7(9(3)4)10(5)6;/h1-6H3;1H/q+1;/p-1.
What are the key properties of bis(dimethylamino)methylidene-dimethylazanium chloride?
bis(dimethylamino)methylidene-dimethylazanium chloride has a molecular weight of 179.69 g/mol, XLogP of -3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylamino)methylidene-dimethylazanium chloride is sourced from PubChem (CID 10171284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).