(3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide

C18H27N3 — CID 135269209

IUPAC(3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide
SMILESC=CC(/C=C\CC/N=C(\N)C/C=C\C=C(/C=C)CC)=C/N
InChIInChI=1S/C18H27N3/c1-4-16(5-2)11-7-8-13-18(20)21-14-10-9-12-17(6-3)15-19/h4,6-9,11-12,15H,1,3,5,10,13-14,19H2,2H3,(H2,20,21)/b8-7-,12-9-,16-11+,17-15-
InChIKeyXHHSKMKTZYICFU-INYUAGKJSA-N
MW285.44 g/mol
LogP3.79
Rot. Bonds10

About (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide

(3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide (PubChem CID 135269209) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide.

Molecular Properties

Compound Name(3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide
PubChem CID135269209
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide
SMILESC=CC(/C=C\CC/N=C(\N)C/C=C\C=C(/C=C)CC)=C/N
InChIInChI=1S/C18H27N3/c1-4-16(5-2)11-7-8-13-18(20)21-14-10-9-12-17(6-3)15-19/h4,6-9,11-12,15H,1,3,5,10,13-14,19H2,2H3,(H2,20,21)/b8-7-,12-9-,16-11+,17-15-
InChIKeyXHHSKMKTZYICFU-INYUAGKJSA-N
XLogP3.79
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide?
The IUPAC name of (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide (CID 135269209) is (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide.
What is the SMILES notation for (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide?
The canonical SMILES for (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide is C=CC(/C=C\CC/N=C(\N)C/C=C\C=C(/C=C)CC)=C/N.
What is the InChIKey of (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide?
The InChIKey is XHHSKMKTZYICFU-INYUAGKJSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-16(5-2)11-7-8-13-18(20)21-14-10-9-12-17(6-3)15-19/h4,6-9,11-12,15H,1,3,5,10,13-14,19H2,2H3,(H2,20,21)/b8-7-,12-9-,16-11+,17-15-.
What are the key properties of (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide?
(3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide has a molecular weight of 285.44 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide is sourced from PubChem (CID 135269209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).