dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium

C8H15N2+ — CID 176586531

IUPACdimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium
SMILESCN/C=C/C=C/C=[N+](C)C
InChIInChI=1S/C8H14N2/c1-9-7-5-4-6-8-10(2)3/h4-8H,1-3H3/p+1
InChIKeyIAADFEXBGYZKQF-UHFFFAOYSA-O
MW139.22 g/mol
LogP0.62
Rot. Bonds3

About dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium

dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium (PubChem CID 176586531) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium
PubChem CID176586531
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Namedimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium
SMILESCN/C=C/C=C/C=[N+](C)C
InChIInChI=1S/C8H14N2/c1-9-7-5-4-6-8-10(2)3/h4-8H,1-3H3/p+1
InChIKeyIAADFEXBGYZKQF-UHFFFAOYSA-O
XLogP0.62
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1Z,3Z,5E)-N-methylhepta-1,3,5-trien-1-amine
CID 142183203
N-methylhepta-1,3,5-trien-1-amine
CID 59935590
N-methyldeca-1,3,5,7,9-pentaen-1-amine
CID 59952276
(1E,3E,5E,7E)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol
CID 22950218
methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine
CID 158738891
[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;yttrium
CID 165078806
(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
CID 20710682
CID 89383615
CID 89383615
[(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium
CID 153236668
[2-(dimethylazaniumylidenemethyl)-3-(methylamino)prop-2-enylidene]-dimethylazanium
CID 18717958
(Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine
CID 170081505
N-methyl-2-[2-(methylamino)ethenoxy]ethenamine
CID 87593312

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium?
The IUPAC name of dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium (CID 176586531) is dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium.
What is the SMILES notation for dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium?
The canonical SMILES for dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium is CN/C=C/C=C/C=[N+](C)C.
What is the InChIKey of dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium?
The InChIKey is IAADFEXBGYZKQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2/c1-9-7-5-4-6-8-10(2)3/h4-8H,1-3H3/p+1.
What are the key properties of dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium?
dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium has a molecular weight of 139.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium is sourced from PubChem (CID 176586531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).