(2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide

C15H19N3 — CID 138714824

IUPAC(2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide
SMILES[H]/N=C(\N=C\N=C\C=C\C=C/C=C)C(/C)=C/C=C\C
InChIInChI=1S/C15H19N3/c1-4-6-8-9-10-12-17-13-18-15(16)14(3)11-7-5-2/h4-13,16H,1H2,2-3H3/b7-5-,8-6-,10-9+,14-11+,16-15-,17-12+,18-13+
InChIKeyLMSSZJVBBFKLPI-YPBPPEGVSA-N
MW241.34 g/mol
LogP3.88
Rot. Bonds6

About (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide

(2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide (PubChem CID 138714824) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide
PubChem CID138714824
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide
SMILES[H]/N=C(\N=C\N=C\C=C\C=C/C=C)C(/C)=C/C=C\C
InChIInChI=1S/C15H19N3/c1-4-6-8-9-10-12-17-13-18-15(16)14(3)11-7-5-2/h4-13,16H,1H2,2-3H3/b7-5-,8-6-,10-9+,14-11+,16-15-,17-12+,18-13+
InChIKeyLMSSZJVBBFKLPI-YPBPPEGVSA-N
XLogP3.88
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.88
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 (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide?
The IUPAC name of (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide (CID 138714824) is (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide.
What is the SMILES notation for (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide?
The canonical SMILES for (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide is [H]/N=C(\N=C\N=C\C=C\C=C/C=C)C(/C)=C/C=C\C.
What is the InChIKey of (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide?
The InChIKey is LMSSZJVBBFKLPI-YPBPPEGVSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-6-8-9-10-12-17-13-18-15(16)14(3)11-7-5-2/h4-13,16H,1H2,2-3H3/b7-5-,8-6-,10-9+,14-11+,16-15-,17-12+,18-13+.
What are the key properties of (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide?
(2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide has a molecular weight of 241.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide is sourced from PubChem (CID 138714824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).