(2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide

C13H19N3 — CID 88945034

IUPAC(2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide
SMILESC=C/C=C\C(N)=N\C(\C=C/C)=C(N)\C=C/C
InChIInChI=1S/C13H19N3/c1-4-7-10-13(15)16-12(9-6-3)11(14)8-5-2/h4-10H,1,14H2,2-3H3,(H2,15,16)/b8-5-,9-6-,10-7-,12-11-
InChIKeyIXXBIXZYXMYQJH-DAYRUDSOSA-N
MW217.32 g/mol
LogP2.41
Rot. Bonds5

About (2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide

(2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide (PubChem CID 88945034) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide
PubChem CID88945034
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide
SMILESC=C/C=C\C(N)=N\C(\C=C/C)=C(N)\C=C/C
InChIInChI=1S/C13H19N3/c1-4-7-10-13(15)16-12(9-6-3)11(14)8-5-2/h4-10H,1,14H2,2-3H3,(H2,15,16)/b8-5-,9-6-,10-7-,12-11-
InChIKeyIXXBIXZYXMYQJH-DAYRUDSOSA-N
XLogP2.41
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide?
The IUPAC name of (2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide (CID 88945034) is (2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide is C=C/C=C\C(N)=N\C(\C=C/C)=C(N)\C=C/C.
What is the InChIKey of (2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide?
The InChIKey is IXXBIXZYXMYQJH-DAYRUDSOSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-7-10-13(15)16-12(9-6-3)11(14)8-5-2/h4-10H,1,14H2,2-3H3,(H2,15,16)/b8-5-,9-6-,10-7-,12-11-.
What are the key properties of (2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide?
(2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide has a molecular weight of 217.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-[(2Z,4Z,6Z)-5-aminoocta-2,4,6-trien-4-yl]penta-2,4-dienimidamide is sourced from PubChem (CID 88945034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).