N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide

C13H18N2 — CID 134444323

IUPACN'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
SMILESC=C/C=C(\N=C(\N)C=C)C(/C=C\C)=C/C
InChIInChI=1S/C13H18N2/c1-5-9-11(7-3)12(10-6-2)15-13(14)8-4/h5-10H,2,4H2,1,3H3,(H2,14,15)/b9-5-,11-7+,12-10-
InChIKeyDOACQKCFJTZNEJ-CAKILYDWSA-N
MW202.30 g/mol
LogP3.12
Rot. Bonds5

About N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide

N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide (PubChem CID 134444323) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
PubChem CID134444323
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
SMILESC=C/C=C(\N=C(\N)C=C)C(/C=C\C)=C/C
InChIInChI=1S/C13H18N2/c1-5-9-11(7-3)12(10-6-2)15-13(14)8-4/h5-10H,2,4H2,1,3H3,(H2,14,15)/b9-5-,11-7+,12-10-
InChIKeyDOACQKCFJTZNEJ-CAKILYDWSA-N
XLogP3.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.12
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 N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide?
The IUPAC name of N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide (CID 134444323) is N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide.
What is the SMILES notation for N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide?
The canonical SMILES for N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide is C=C/C=C(\N=C(\N)C=C)C(/C=C\C)=C/C.
What is the InChIKey of N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide?
The InChIKey is DOACQKCFJTZNEJ-CAKILYDWSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-9-11(7-3)12(10-6-2)15-13(14)8-4/h5-10H,2,4H2,1,3H3,(H2,14,15)/b9-5-,11-7+,12-10-.
What are the key properties of N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide?
N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide has a molecular weight of 202.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide is sourced from PubChem (CID 134444323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).