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

C13H28ClN3 — CID 134894284

IUPAC[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride
SMILESCN(C)C(/C=C(/N(C)C)C(C)(C)C)=[N+](C)C.[Cl-]
InChIInChI=1S/C13H28N3.ClH/c1-13(2,3)11(14(4)5)10-12(15(6)7)16(8)9;/h10H,1-9H3;1H/q+1;/p-1
InChIKeyOJLOEGLNKMLMRS-UHFFFAOYSA-M
MW261.84 g/mol
LogP-1.29
Rot. Bonds2

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

[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride (PubChem CID 134894284) has the molecular formula C13H28ClN3 and a molecular weight of 261.84 g/mol. Its IUPAC name is [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride
PubChem CID134894284
Molecular FormulaC13H28ClN3
Molecular Weight261.84 g/mol
Exact Mass261.20
IUPAC Name[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride
SMILESCN(C)C(/C=C(/N(C)C)C(C)(C)C)=[N+](C)C.[Cl-]
InChIInChI=1S/C13H28N3.ClH/c1-13(2,3)11(14(4)5)10-12(15(6)7)16(8)9;/h10H,1-9H3;1H/q+1;/p-1
InChIKeyOJLOEGLNKMLMRS-UHFFFAOYSA-M
XLogP-1.29
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 5-1.29
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
CID 134873323
(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 chloride?
The IUPAC name of [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride (CID 134894284) is [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride.
What is the SMILES notation for [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride?
The canonical SMILES for [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride is CN(C)C(/C=C(/N(C)C)C(C)(C)C)=[N+](C)C.[Cl-].
What is the InChIKey of [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride?
The InChIKey is OJLOEGLNKMLMRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H28N3.ClH/c1-13(2,3)11(14(4)5)10-12(15(6)7)16(8)9;/h10H,1-9H3;1H/q+1;/p-1.
What are the key properties of [(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride?
[(E)-1,3-bis(dimethylamino)-4,4-dimethylpent-2-enylidene]-dimethylazanium chloride has a molecular weight of 261.84 g/mol, XLogP of -1.29, 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 chloride is sourced from PubChem (CID 134894284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).