(2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide

C15H20N2 — CID 146213468

IUPAC(2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide
SMILESC=C/C=C\C(=N/C=C)NC(/C=C\C)=C/C=C\C
InChIInChI=1S/C15H20N2/c1-5-9-12-14(11-7-3)17-15(16-8-4)13-10-6-2/h5-13H,2,4H2,1,3H3,(H,16,17)/b9-5-,11-7-,13-10-,14-12+
InChIKeyMGEBZACDLIHSOP-JPUPKQLJSA-N
MW228.34 g/mol
LogP3.90
Rot. Bonds6

About (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide

(2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide (PubChem CID 146213468) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide
PubChem CID146213468
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide
SMILESC=C/C=C\C(=N/C=C)NC(/C=C\C)=C/C=C\C
InChIInChI=1S/C15H20N2/c1-5-9-12-14(11-7-3)17-15(16-8-4)13-10-6-2/h5-13H,2,4H2,1,3H3,(H,16,17)/b9-5-,11-7-,13-10-,14-12+
InChIKeyMGEBZACDLIHSOP-JPUPKQLJSA-N
XLogP3.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide?
The IUPAC name of (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide (CID 146213468) is (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide is C=C/C=C\C(=N/C=C)NC(/C=C\C)=C/C=C\C.
What is the InChIKey of (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide?
The InChIKey is MGEBZACDLIHSOP-JPUPKQLJSA-N. The full InChI is InChI=1S/C15H20N2/c1-5-9-12-14(11-7-3)17-15(16-8-4)13-10-6-2/h5-13H,2,4H2,1,3H3,(H,16,17)/b9-5-,11-7-,13-10-,14-12+.
What are the key properties of (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide?
(2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide has a molecular weight of 228.34 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide is sourced from PubChem (CID 146213468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).