[(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium

C8H20N4+2 — CID 23272261

IUPAC[(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium
SMILESC/C(=N\N=C(/C)[NH+](C)C)[NH+](C)C
InChIInChI=1S/C8H18N4/c1-7(11(3)4)9-10-8(2)12(5)6/h1-6H3/p+2/b9-7+,10-8+
InChIKeyJJFHRWOBRWETHY-FIFLTTCUSA-P
MW172.28 g/mol
LogP-1.97
Rot. Bonds1

About [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium

[(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium (PubChem CID 23272261) has the molecular formula C8H20N4+2 and a molecular weight of 172.28 g/mol. Its IUPAC name is [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium.

Molecular Properties

Compound Name[(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium
PubChem CID23272261
Molecular FormulaC8H20N4+2
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name[(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium
SMILESC/C(=N\N=C(/C)[NH+](C)C)[NH+](C)C
InChIInChI=1S/C8H18N4/c1-7(11(3)4)9-10-8(2)12(5)6/h1-6H3/p+2/b9-7+,10-8+
InChIKeyJJFHRWOBRWETHY-FIFLTTCUSA-P
XLogP-1.97
TPSA33.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-1.97
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'}

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Related Compounds

(1E)-N-(dimethylazaniumyl)ethanimidate
CID 20676007
hydrogen borate;bis(trimethylazanium)
CID 142675535
methanol;trimethylazanium;hydroxide
CID 21313545
N'-[(Z)-1-aminoethylideneamino]ethanimidamide;ethane
CID 143420874
dimethyl-[(Z)-4-oxopent-2-en-3-yl]azanium
CID 139246010
2-N,3-N-bis[tert-butyl(dimethyl)silyl]butane-2,3-diimine
CID 139920628
carbanide;(Z)-N-[(Z)-propan-2-ylideneamino]propan-2-imine;decakis(yttrium)
CID 58298914
deuteriomethane;deuteriooxymethane
CID 91085530
N'-hydroxy-N,N-dimethylethanimidamide
CID 6308604
N'-(propan-2-ylideneamino)ethanimidamide
CID 85440843
(E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine
CID 118063031
2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)butan-2-ylidene]amino]guanidine
CID 5474391

Frequently Asked Questions

What is the IUPAC name of [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium?
The IUPAC name of [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium (CID 23272261) is [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium.
What is the SMILES notation for [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium?
The canonical SMILES for [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium is C/C(=N\N=C(/C)[NH+](C)C)[NH+](C)C.
What is the InChIKey of [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium?
The InChIKey is JJFHRWOBRWETHY-FIFLTTCUSA-P. The full InChI is InChI=1S/C8H18N4/c1-7(11(3)4)9-10-8(2)12(5)6/h1-6H3/p+2/b9-7+,10-8+.
What are the key properties of [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium?
[(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium has a molecular weight of 172.28 g/mol, XLogP of -1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-N-[(E)-1-(dimethylazaniumyl)ethylideneamino]-C-methylcarbonimidoyl]-dimethylazanium is sourced from PubChem (CID 23272261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).