[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium

C15H29F2N2+ — CID 156677182

IUPAC[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium
SMILESCCCN(C)/C(=C\C(CCF)=[N+](/C)CCC)CCF
InChIInChI=1S/C15H29F2N2/c1-5-11-18(3)14(7-9-16)13-15(8-10-17)19(4)12-6-2/h13H,5-12H2,1-4H3/q+1
InChIKeyZXVABWXUESBFDK-UHFFFAOYSA-N
MW275.41 g/mol
LogP3.42
Rot. Bonds10

About [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium

[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium (PubChem CID 156677182) has the molecular formula C15H29F2N2+ and a molecular weight of 275.41 g/mol. Its IUPAC name is [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium.

Molecular Properties

Compound Name[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium
PubChem CID156677182
Molecular FormulaC15H29F2N2+
Molecular Weight275.41 g/mol
Exact Mass275.23
IUPAC Name[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium
SMILESCCCN(C)/C(=C\C(CCF)=[N+](/C)CCC)CCF
InChIInChI=1S/C15H29F2N2/c1-5-11-18(3)14(7-9-16)13-15(8-10-17)19(4)12-6-2/h13H,5-12H2,1-4H3/q+1
InChIKeyZXVABWXUESBFDK-UHFFFAOYSA-N
XLogP3.42
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 53.42
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

(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)-1,7-difluoro-N-propyl-5-propyliminohept-3-en-3-amine
CID 156290789
ethyl-[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-methylazanium
CID 156677165
[(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
CID 156677168
[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
CID 156677170
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 153097017
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine
CID 154587304
(Z)-N-dideuterioalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587306
(Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 154587331

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium?
The IUPAC name of [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium (CID 156677182) is [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium.
What is the SMILES notation for [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium?
The canonical SMILES for [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium is CCCN(C)/C(=C\C(CCF)=[N+](/C)CCC)CCF.
What is the InChIKey of [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium?
The InChIKey is ZXVABWXUESBFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2N2/c1-5-11-18(3)14(7-9-16)13-15(8-10-17)19(4)12-6-2/h13H,5-12H2,1-4H3/q+1.
What are the key properties of [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium?
[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium has a molecular weight of 275.41 g/mol, XLogP of 3.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium is sourced from PubChem (CID 156677182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).