[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium

C9H19N2+ — CID 134868406

IUPAC[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium
SMILESCC(/C=C(\C)N(C)C)=[N+](C)C
InChIInChI=1S/C9H19N2/c1-8(10(3)4)7-9(2)11(5)6/h7H,1-6H3/q+1
InChIKeyPLUYJDKZDPDHFD-UHFFFAOYSA-N
MW155.26 g/mol
LogP1.18
Rot. Bonds2

About [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium

[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium (PubChem CID 134868406) has the molecular formula C9H19N2+ and a molecular weight of 155.26 g/mol. Its IUPAC name is [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium
PubChem CID134868406
Molecular FormulaC9H19N2+
Molecular Weight155.26 g/mol
Exact Mass155.15
IUPAC Name[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium
SMILESCC(/C=C(\C)N(C)C)=[N+](C)C
InChIInChI=1S/C9H19N2/c1-8(10(3)4)7-9(2)11(5)6/h7H,1-6H3/q+1
InChIKeyPLUYJDKZDPDHFD-UHFFFAOYSA-N
XLogP1.18
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetramethyl-4-quinonediiminium dication
CID 169616
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560383
(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 88984410
[(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
CID 156677168
dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate
CID 134868405
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733
1,3,4,6-tetramethyl-2H-pyrimidin-3-ium
CID 21342158
1,4,6-trimethyl-2H-pyrimidine
CID 53786617
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium?
The IUPAC name of [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium (CID 134868406) is [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium.
What is the SMILES notation for [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium?
The canonical SMILES for [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium is CC(/C=C(\C)N(C)C)=[N+](C)C.
What is the InChIKey of [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium?
The InChIKey is PLUYJDKZDPDHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2/c1-8(10(3)4)7-9(2)11(5)6/h7H,1-6H3/q+1.
What are the key properties of [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium?
[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium has a molecular weight of 155.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium is sourced from PubChem (CID 134868406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).