trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium

C13H28N6O2+2 — CID 6400091

IUPACtrimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium
SMILESCC(/C=N\NC(=O)C[N+](C)(C)C)=N/NC(=O)C[N+](C)(C)C
InChIInChI=1S/C13H26N6O2/c1-11(15-17-13(21)10-19(5,6)7)8-14-16-12(20)9-18(2,3)4/h8H,9-10H2,1-7H3/p+2
InChIKeyWGYPFZGAWKZAEA-UHFFFAOYSA-P
MW300.41 g/mol
LogP-1.01
Rot. Bonds7

About trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium

trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium (PubChem CID 6400091) has the molecular formula C13H28N6O2+2 and a molecular weight of 300.41 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium
PubChem CID6400091
Molecular FormulaC13H28N6O2+2
Molecular Weight300.41 g/mol
Exact Mass300.23
IUPAC Nametrimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium
SMILESCC(/C=N\NC(=O)C[N+](C)(C)C)=N/NC(=O)C[N+](C)(C)C
InChIInChI=1S/C13H26N6O2/c1-11(15-17-13(21)10-19(5,6)7)8-14-16-12(20)9-18(2,3)4/h8H,9-10H2,1-7H3/p+2
InChIKeyWGYPFZGAWKZAEA-UHFFFAOYSA-P
XLogP-1.01
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium (CID 6400091) is trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium is CC(/C=N\NC(=O)C[N+](C)(C)C)=N/NC(=O)C[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium?
The InChIKey is WGYPFZGAWKZAEA-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H26N6O2/c1-11(15-17-13(21)10-19(5,6)7)8-14-16-12(20)9-18(2,3)4/h8H,9-10H2,1-7H3/p+2.
What are the key properties of trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium?
trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium has a molecular weight of 300.41 g/mol, XLogP of -1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium is sourced from PubChem (CID 6400091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).