[(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane

C16H34N+ — CID 153404291

IUPAC[(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane
SMILESC/C=C(C)\[N+](CCC)=C(C)\C=C\C.CC.CC
InChIInChI=1S/C12H22N.2C2H6/c1-6-9-12(5)13(10-7-2)11(4)8-3;2*1-2/h6,8-9H,7,10H2,1-5H3;2*1-2H3/q+1;;/b9-6+,11-8-,13-12+;;
InChIKeyCTLHTJDUXLXFJD-WDNRILHKSA-N
MW240.45 g/mol
LogP5.42
Rot. Bonds4

About [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane

[(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane (PubChem CID 153404291) has the molecular formula C16H34N+ and a molecular weight of 240.45 g/mol. Its IUPAC name is [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane.

Molecular Properties

Compound Name[(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane
PubChem CID153404291
Molecular FormulaC16H34N+
Molecular Weight240.45 g/mol
Exact Mass240.27
IUPAC Name[(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane
SMILESC/C=C(C)\[N+](CCC)=C(C)\C=C\C.CC.CC
InChIInChI=1S/C12H22N.2C2H6/c1-6-9-12(5)13(10-7-2)11(4)8-3;2*1-2/h6,8-9H,7,10H2,1-5H3;2*1-2H3/q+1;;/b9-6+,11-8-,13-12+;;
InChIKeyCTLHTJDUXLXFJD-WDNRILHKSA-N
XLogP5.42
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

manganese(2+);bis(propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide)
CID 162407548
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
Ethyl-hexa-2,4-dien-3-yl-hexa-3,5-dien-2-ylideneazanium
CID 123659364
(Z)-2-ethenylimino-N,N-dimethylpent-3-en-1-amine
CID 132156024
ethane;(2Z)-1-ethenyl-2-ethylidene-3,6-dimethylpyrazine;methane
CID 141771480
(Z)-N-ethyl-N-methyl-2-methyliminohex-3-en-1-amine
CID 145341950
(Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 154587329
(Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 154587357
(E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine
CID 155160499
CID 164812892
CID 164812892
(Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 166498023

Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane?
The IUPAC name of [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane (CID 153404291) is [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane.
What is the SMILES notation for [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane?
The canonical SMILES for [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane is C/C=C(C)\[N+](CCC)=C(C)\C=C\C.CC.CC.
What is the InChIKey of [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane?
The InChIKey is CTLHTJDUXLXFJD-WDNRILHKSA-N. The full InChI is InChI=1S/C12H22N.2C2H6/c1-6-9-12(5)13(10-7-2)11(4)8-3;2*1-2/h6,8-9H,7,10H2,1-5H3;2*1-2H3/q+1;;/b9-6+,11-8-,13-12+;;.
What are the key properties of [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane?
[(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane has a molecular weight of 240.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane is sourced from PubChem (CID 153404291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).