2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine

C20H23N3 — CID 174358814

IUPAC2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine
SMILESC=C/C=C\C(=C/C=C)N/C(N=C(C=C)/C(C=C)=C/C=C)=N\C=C
InChIInChI=1S/C20H23N3/c1-7-13-16-18(15-9-3)22-20(21-12-6)23-19(11-5)17(10-4)14-8-2/h7-16H,1-6H2,(H,21,22)/b16-13-,17-14+,18-15+,23-19?
InChIKeyDMBNRXKMHIPDFV-CMGJEXFQSA-N
MW305.43 g/mol
LogP4.81
Rot. Bonds9

About 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine

2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine (PubChem CID 174358814) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine.

Molecular Properties

Compound Name2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine
PubChem CID174358814
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine
SMILESC=C/C=C\C(=C/C=C)N/C(N=C(C=C)/C(C=C)=C/C=C)=N\C=C
InChIInChI=1S/C20H23N3/c1-7-13-16-18(15-9-3)22-20(21-12-6)23-19(11-5)17(10-4)14-8-2/h7-16H,1-6H2,(H,21,22)/b16-13-,17-14+,18-15+,23-19?
InChIKeyDMBNRXKMHIPDFV-CMGJEXFQSA-N
XLogP4.81
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.81
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'}

Analyze 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine 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 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine?
The IUPAC name of 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine (CID 174358814) is 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine.
What is the SMILES notation for 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine?
The canonical SMILES for 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine is C=C/C=C\C(=C/C=C)N/C(N=C(C=C)/C(C=C)=C/C=C)=N\C=C.
What is the InChIKey of 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine?
The InChIKey is DMBNRXKMHIPDFV-CMGJEXFQSA-N. The full InChI is InChI=1S/C20H23N3/c1-7-13-16-18(15-9-3)22-20(21-12-6)23-19(11-5)17(10-4)14-8-2/h7-16H,1-6H2,(H,21,22)/b16-13-,17-14+,18-15+,23-19?.
What are the key properties of 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine?
2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine has a molecular weight of 305.43 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine is sourced from PubChem (CID 174358814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).