bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride

C7H19Cl2N3 — CID 22389536

IUPACbis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride
SMILESCN(C)C(N(C)C)=[N+](C)C.Cl.[Cl-]
InChIInChI=1S/C7H18N3.2ClH/c1-8(2)7(9(3)4)10(5)6;;/h1-6H3;2*1H/q+1;;/p-1
InChIKeyONFIRSYOTXZZQU-UHFFFAOYSA-M
MW216.16 g/mol
LogP-2.84
Rot. Bonds

About bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride

bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride (PubChem CID 22389536) has the molecular formula C7H19Cl2N3 and a molecular weight of 216.16 g/mol. Its IUPAC name is bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride.

Molecular Properties

Compound Namebis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride
PubChem CID22389536
Molecular FormulaC7H19Cl2N3
Molecular Weight216.16 g/mol
Exact Mass215.10
IUPAC Namebis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride
SMILESCN(C)C(N(C)C)=[N+](C)C.Cl.[Cl-]
InChIInChI=1S/C7H18N3.2ClH/c1-8(2)7(9(3)4)10(5)6;;/h1-6H3;2*1H/q+1;;/p-1
InChIKeyONFIRSYOTXZZQU-UHFFFAOYSA-M
XLogP-2.84
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 5-2.84
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;hydrochloride?
The IUPAC name of bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride (CID 22389536) is bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride.
What is the SMILES notation for bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride?
The canonical SMILES for bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride is CN(C)C(N(C)C)=[N+](C)C.Cl.[Cl-].
What is the InChIKey of bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride?
The InChIKey is ONFIRSYOTXZZQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N3.2ClH/c1-8(2)7(9(3)4)10(5)6;;/h1-6H3;2*1H/q+1;;/p-1.
What are the key properties of bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride?
bis(dimethylamino)methylidene-dimethylazanium;chloride;hydrochloride has a molecular weight of 216.16 g/mol, XLogP of -2.84, 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;hydrochloride is sourced from PubChem (CID 22389536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).