N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide

C21H25N3 — CID 134534413

IUPACN-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(/N=C(\N=C\CC/C=C\C=C)C(/C=C)=C/C=C)C1=CC=CCC1
InChIInChI=1S/C21H25N3/c1-4-7-8-9-13-17-23-21(18(6-3)14-5-2)24-20(22)19-15-11-10-12-16-19/h4-8,10-11,14-15,17,22H,1-3,9,12-13,16H2/b8-7-,18-14+,22-20+,23-17+,24-21-
InChIKeyJPMAVXOILKCZQA-RGQINLBQSA-N
MW319.45 g/mol
LogP5.53
Rot. Bonds8

About N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide

N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide (PubChem CID 134534413) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide.

Molecular Properties

Compound NameN-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide
PubChem CID134534413
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(/N=C(\N=C\CC/C=C\C=C)C(/C=C)=C/C=C)C1=CC=CCC1
InChIInChI=1S/C21H25N3/c1-4-7-8-9-13-17-23-21(18(6-3)14-5-2)24-20(22)19-15-11-10-12-16-19/h4-8,10-11,14-15,17,22H,1-3,9,12-13,16H2/b8-7-,18-14+,22-20+,23-17+,24-21-
InChIKeyJPMAVXOILKCZQA-RGQINLBQSA-N
XLogP5.53
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide?
The IUPAC name of N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide (CID 134534413) is N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide.
What is the SMILES notation for N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide?
The canonical SMILES for N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide is [H]/N=C(/N=C(\N=C\CC/C=C\C=C)C(/C=C)=C/C=C)C1=CC=CCC1.
What is the InChIKey of N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide?
The InChIKey is JPMAVXOILKCZQA-RGQINLBQSA-N. The full InChI is InChI=1S/C21H25N3/c1-4-7-8-9-13-17-23-21(18(6-3)14-5-2)24-20(22)19-15-11-10-12-16-19/h4-8,10-11,14-15,17,22H,1-3,9,12-13,16H2/b8-7-,18-14+,22-20+,23-17+,24-21-.
What are the key properties of N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide?
N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide has a molecular weight of 319.45 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide is sourced from PubChem (CID 134534413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).