potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide

C13H24KN5+2 — CID 162735268

IUPACpotassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide
SMILESC=CC(/C(=N/C)[N-]C)=C(N)\C(/C=[NH+]/C)=C/[NH+](C)C.[K+]
InChIInChI=1S/C13H22N5.K/c1-7-11(13(16-3)17-4)12(14)10(8-15-2)9-18(5)6;/h7-9H,1,14H2,2-6H3;/q-1;+1/p+2/b10-9-,12-11-,15-8+;
InChIKeyLLKTVZIAGAEHSO-NEUZGSDSSA-P
MW289.47 g/mol
LogP-4.77
Rot. Bonds5

About potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide

potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide (PubChem CID 162735268) has the molecular formula C13H24KN5+2 and a molecular weight of 289.47 g/mol. Its IUPAC name is potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide.

Molecular Properties

Compound Namepotassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide
PubChem CID162735268
Molecular FormulaC13H24KN5+2
Molecular Weight289.47 g/mol
Exact Mass289.17
IUPAC Namepotassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide
SMILESC=CC(/C(=N/C)[N-]C)=C(N)\C(/C=[NH+]/C)=C/[NH+](C)C.[K+]
InChIInChI=1S/C13H22N5.K/c1-7-11(13(16-3)17-4)12(14)10(8-15-2)9-18(5)6;/h7-9H,1,14H2,2-6H3;/q-1;+1/p+2/b10-9-,12-11-,15-8+;
InChIKeyLLKTVZIAGAEHSO-NEUZGSDSSA-P
XLogP-4.77
TPSA70.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 5-4.77
H-Bond Donors ≤ 53
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
(3E)-N-ethenyl-3-[(Z)-3-(methyliminomethyl)pent-3-en-2-ylidene]pyrrol-2-amine
CID 126663390
N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine
CID 136593550
N,6-dimethyl-3-methylidene-1H-azepin-2-imine
CID 137092150
(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
CID 142471487
(3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen
CID 145143773
potassium;ethane;3-ethenyl-N,5-dimethyl-4H-pyridin-4-id-2-amine
CID 153392290
(Z)-N-ethenyl-N'-methyl-2-propan-2-ylidenepent-3-enimidamide
CID 156256223
3-imino-N,N,2-trimethyl-N'-[(2Z)-2-[(E)-1-(methylamino)prop-1-enyl]hexa-2,5-dienyl]propanimidamide
CID 173872619
N-[(3E)-3-[1-(dimethylamino)ethylidene]-1H-pyrrol-2-ylidene]methanimidamide
CID 176544192
(2Z,4E)-3-amino-5-(dimethylamino)-2-ethenyl-N,N'-dimethyl-4-(methyliminomethyl)penta-2,4-dienimidamide
CID 162735269

Frequently Asked Questions

What is the IUPAC name of potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide?
The IUPAC name of potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide (CID 162735268) is potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide.
What is the SMILES notation for potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide?
The canonical SMILES for potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide is C=CC(/C(=N/C)[N-]C)=C(N)\C(/C=[NH+]/C)=C/[NH+](C)C.[K+].
What is the InChIKey of potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide?
The InChIKey is LLKTVZIAGAEHSO-NEUZGSDSSA-P. The full InChI is InChI=1S/C13H22N5.K/c1-7-11(13(16-3)17-4)12(14)10(8-15-2)9-18(5)6;/h7-9H,1,14H2,2-6H3;/q-1;+1/p+2/b10-9-,12-11-,15-8+;.
What are the key properties of potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide?
potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide has a molecular weight of 289.47 g/mol, XLogP of -4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide is sourced from PubChem (CID 162735268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).