bis(dimethylamino)methylidene-dimethylazanium

C7H18N3+ — CID 2759274

IUPACbis(dimethylamino)methylidene-dimethylazanium
SMILESCN(C)C(N(C)C)=[N+](C)C
InChIInChI=1S/C7H18N3/c1-8(2)7(9(3)4)10(5)6/h1-6H3/q+1
InChIKeyFCPMOQKUPRKDAN-UHFFFAOYSA-N
MW144.24 g/mol
LogP-0.26
Rot. Bonds

About bis(dimethylamino)methylidene-dimethylazanium

bis(dimethylamino)methylidene-dimethylazanium (PubChem CID 2759274) has the molecular formula C7H18N3+ and a molecular weight of 144.24 g/mol. Its IUPAC name is bis(dimethylamino)methylidene-dimethylazanium.

Molecular Properties

Compound Namebis(dimethylamino)methylidene-dimethylazanium
PubChem CID2759274
Molecular FormulaC7H18N3+
Molecular Weight144.24 g/mol
Exact Mass144.15
IUPAC Namebis(dimethylamino)methylidene-dimethylazanium
SMILESCN(C)C(N(C)C)=[N+](C)C
InChIInChI=1S/C7H18N3/c1-8(2)7(9(3)4)10(5)6/h1-6H3/q+1
InChIKeyFCPMOQKUPRKDAN-UHFFFAOYSA-N
XLogP-0.26
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.26
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?
The IUPAC name of bis(dimethylamino)methylidene-dimethylazanium (CID 2759274) is bis(dimethylamino)methylidene-dimethylazanium.
What is the SMILES notation for bis(dimethylamino)methylidene-dimethylazanium?
The canonical SMILES for bis(dimethylamino)methylidene-dimethylazanium is CN(C)C(N(C)C)=[N+](C)C.
What is the InChIKey of bis(dimethylamino)methylidene-dimethylazanium?
The InChIKey is FCPMOQKUPRKDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N3/c1-8(2)7(9(3)4)10(5)6/h1-6H3/q+1.
What are the key properties of bis(dimethylamino)methylidene-dimethylazanium?
bis(dimethylamino)methylidene-dimethylazanium has a molecular weight of 144.24 g/mol, XLogP of -0.26, 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 is sourced from PubChem (CID 2759274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).