[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium

C13H28N3+ — CID 134873323

IUPAC[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium
SMILESCN(C)C(/C=C(/N(C)C)C(C)(C)C)=[N+](C)C
InChIInChI=1S/C13H28N3/c1-13(2,3)11(14(4)5)10-12(15(6)7)16(8)9/h10H,1-9H3/q+1
InChIKeyJISJOJATSQPKNM-UHFFFAOYSA-N
MW226.39 g/mol
LogP1.71
Rot. Bonds2

About [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium

[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium (PubChem CID 134873323) has the molecular formula C13H28N3+ and a molecular weight of 226.39 g/mol. Its IUPAC name is [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium
PubChem CID134873323
Molecular FormulaC13H28N3+
Molecular Weight226.39 g/mol
Exact Mass226.23
IUPAC Name[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium
SMILESCN(C)C(/C=C(/N(C)C)C(C)(C)C)=[N+](C)C
InChIInChI=1S/C13H28N3/c1-13(2,3)11(14(4)5)10-12(15(6)7)16(8)9/h10H,1-9H3/q+1
InChIKeyJISJOJATSQPKNM-UHFFFAOYSA-N
XLogP1.71
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium perchlorate
CID 134873322
(E)-1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-N,N,3,3-tetramethylbut-1-en-2-amine chloride
CID 134873523
[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride
CID 134894284
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
N-ethyl-1,5,5-trimethylazepin-2-imine
CID 123171134
3-amino-N',4,4-trimethylpent-2-enimidamide
CID 163794337
3-amino-N,N',4,4-tetramethylpent-2-enimidamide
CID 173491306
(Z)-3-amino-N',4,4-trimethylpent-2-enimidamide
CID 89257921
(Z)-3-amino-N,N',4,4-tetramethylpent-2-enimidamide
CID 89257961
(E)-1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-N,N,3,3-tetramethylbut-1-en-2-amine
CID 134873524

Frequently Asked Questions

What is the IUPAC name of [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium (CID 134873323) is [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium is CN(C)C(/C=C(/N(C)C)C(C)(C)C)=[N+](C)C.
What is the InChIKey of [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium?
The InChIKey is JISJOJATSQPKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N3/c1-13(2,3)11(14(4)5)10-12(15(6)7)16(8)9/h10H,1-9H3/q+1.
What are the key properties of [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium?
[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium has a molecular weight of 226.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium is sourced from PubChem (CID 134873323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).