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

C9H19ClN2O4 — CID 134868405

IUPAC[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate
SMILESCC(/C=C(\C)N(C)C)=[N+](C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H19N2.ClHO4/c1-8(10(3)4)7-9(2)11(5)6;2-1(3,4)5/h7H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyYVKSMDSYYZRNJS-UHFFFAOYSA-M
MW254.71 g/mol
LogP-3.57
Rot. Bonds2

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

[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate (PubChem CID 134868405) has the molecular formula C9H19ClN2O4 and a molecular weight of 254.71 g/mol. Its IUPAC name is [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate
PubChem CID134868405
Molecular FormulaC9H19ClN2O4
Molecular Weight254.71 g/mol
Exact Mass254.10
IUPAC Name[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate
SMILESCC(/C=C(\C)N(C)C)=[N+](C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H19N2.ClHO4/c1-8(10(3)4)7-9(2)11(5)6;2-1(3,4)5/h7H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyYVKSMDSYYZRNJS-UHFFFAOYSA-M
XLogP-3.57
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 5-3.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398
Methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium
CID 123554348
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium
CID 134868406
(E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine
CID 143487946

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate?
The IUPAC name of [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate (CID 134868405) is [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate?
The canonical SMILES for [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate is CC(/C=C(\C)N(C)C)=[N+](C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate?
The InChIKey is YVKSMDSYYZRNJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19N2.ClHO4/c1-8(10(3)4)7-9(2)11(5)6;2-1(3,4)5/h7H,1-6H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate?
[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate has a molecular weight of 254.71 g/mol, XLogP of -3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 134868405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).