bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride

C19H44ClN5 — CID 158237213

IUPACbis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride
SMILESCCCCN(CCCC)NC(NN(CCCC)CCCC)=[N+](C)C.[Cl-]
InChIInChI=1S/C19H43N5.ClH/c1-7-11-15-23(16-12-8-2)20-19(22(5)6)21-24(17-13-9-3)18-14-10-4;/h7-18H2,1-6H3,(H,20,21);1H
InChIKeyGFCLWTSGGUUVGA-UHFFFAOYSA-N
MW378.05 g/mol
LogP0.43
Rot. Bonds14

About bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride

bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride (PubChem CID 158237213) has the molecular formula C19H44ClN5 and a molecular weight of 378.05 g/mol. Its IUPAC name is bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride.

Molecular Properties

Compound Namebis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride
PubChem CID158237213
Molecular FormulaC19H44ClN5
Molecular Weight378.05 g/mol
Exact Mass377.33
IUPAC Namebis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride
SMILESCCCCN(CCCC)NC(NN(CCCC)CCCC)=[N+](C)C.[Cl-]
InChIInChI=1S/C19H43N5.ClH/c1-7-11-15-23(16-12-8-2)20-19(22(5)6)21-24(17-13-9-3)18-14-10-4;/h7-18H2,1-6H3,(H,20,21);1H
InChIKeyGFCLWTSGGUUVGA-UHFFFAOYSA-N
XLogP0.43
TPSA33.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.05
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride?
The IUPAC name of bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride (CID 158237213) is bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride.
What is the SMILES notation for bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride?
The canonical SMILES for bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride is CCCCN(CCCC)NC(NN(CCCC)CCCC)=[N+](C)C.[Cl-].
What is the InChIKey of bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride?
The InChIKey is GFCLWTSGGUUVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N5.ClH/c1-7-11-15-23(16-12-8-2)20-19(22(5)6)21-24(17-13-9-3)18-14-10-4;/h7-18H2,1-6H3,(H,20,21);1H.
What are the key properties of bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride?
bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride has a molecular weight of 378.05 g/mol, XLogP of 0.43, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride is sourced from PubChem (CID 158237213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).