hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide

C20H44BrN3O — CID 171118143

IUPAChexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)NN.[Br-]
InChIInChI=1S/C20H43N3O.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(2,3)19-20(24)22-21;/h4-19,21H2,1-3H3;1H
InChIKeyYEAIUWMZMVKCRD-UHFFFAOYSA-N
MW422.50 g/mol
LogP1.54
Rot. Bonds17

About hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide

hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide (PubChem CID 171118143) has the molecular formula C20H44BrN3O and a molecular weight of 422.50 g/mol. Its IUPAC name is hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide.

Molecular Properties

Compound Namehexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide
PubChem CID171118143
Molecular FormulaC20H44BrN3O
Molecular Weight422.50 g/mol
Exact Mass421.27
IUPAC Namehexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)NN.[Br-]
InChIInChI=1S/C20H43N3O.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(2,3)19-20(24)22-21;/h4-19,21H2,1-3H3;1H
InChIKeyYEAIUWMZMVKCRD-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide?
The IUPAC name of hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide (CID 171118143) is hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide.
What is the SMILES notation for hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide?
The canonical SMILES for hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide is CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)NN.[Br-].
What is the InChIKey of hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide?
The InChIKey is YEAIUWMZMVKCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N3O.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(2,3)19-20(24)22-21;/h4-19,21H2,1-3H3;1H.
What are the key properties of hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide?
hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide has a molecular weight of 422.50 g/mol, XLogP of 1.54, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl-(2-hydrazinyl-2-oxoethyl)-dimethylazanium bromide is sourced from PubChem (CID 171118143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).