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

C13H28N6O2+2 — CID 6800245

IUPACtrimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium
SMILESCC(=NNC(=O)C[N+](C)(C)C)C=NNC(=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
MW300.40 g/mol
LogP-0.60
Rot. Bonds7

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

Trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium (PubChem CID 6800245) has the molecular formula C13H28N6O2+2 and a molecular weight of 300.40 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium.

Molecular Properties

Compound NameTrimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium
PubChem CID6800245
Molecular FormulaC13H28N6O2+2
Molecular Weight300.40 g/mol
Exact Mass300.23
IUPAC Nametrimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium
SMILESCC(=NNC(=O)C[N+](C)(C)C)C=NNC(=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-0.60
TPSA82.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity429

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.60
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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Related Compounds

trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride
CID 54599397
trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium chloride
CID 54599883
2-(dimethylamino)-N-(propan-2-ylideneamino)acetamide
CID 45088529
2-(dimethylamino)-N-[(E)-2-methylpropylideneamino]acetamide
CID 57733932
(1Z)-N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate
CID 59964746
N-[[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]-dimethylazaniumyl]ethanimidate
CID 72608549
4-(Dimethylamino)-1,4-dihydropyrazol-5-one
CID 153742887
trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium
CID 177293515
Trimethyl-[2-oxo-2-(2-pentylidenehydrazinyl)ethyl]azanium
CID 414844
trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium
CID 5474258
trimethyl-[2-oxo-2-[(2Z)-2-[(1Z)-1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium
CID 6400091
trimethyl-[2-oxo-2-[(2E)-2-pentylidenehydrazinyl]ethyl]azanium
CID 9572978

Frequently Asked Questions

What is the IUPAC name of Trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium?
The IUPAC name of Trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium (CID 6800245) is trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium.
What is the SMILES notation for Trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium?
The canonical SMILES for Trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium is CC(=NNC(=O)C[N+](C)(C)C)C=NNC(=O)C[N+](C)(C)C.
What is the InChIKey of Trimethyl-[2-oxo-2-[2-[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-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium?
Trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium has a molecular weight of 300.40 g/mol, XLogP of -0.60, 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-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium is sourced from PubChem (CID 6800245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).