2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine

C19H25N3 — CID 174360217

IUPAC2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine
SMILESC=C/C=C\C(=C/C)C(C)=N/C(=N\C=C)NC(/C=C\C)=C/C=C
InChIInChI=1S/C19H25N3/c1-7-12-15-17(10-4)16(6)21-19(20-11-5)22-18(13-8-2)14-9-3/h7-15H,1-2,5H2,3-4,6H3,(H,20,22)/b14-9-,15-12-,17-10+,18-13+,21-16?
InChIKeyXBGONPDURARSGS-ASXFDDDBSA-N
MW295.43 g/mol
LogP4.87
Rot. Bonds7

About 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine

2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine (PubChem CID 174360217) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine.

Molecular Properties

Compound Name2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine
PubChem CID174360217
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine
SMILESC=C/C=C\C(=C/C)C(C)=N/C(=N\C=C)NC(/C=C\C)=C/C=C
InChIInChI=1S/C19H25N3/c1-7-12-15-17(10-4)16(6)21-19(20-11-5)22-18(13-8-2)14-9-3/h7-15H,1-2,5H2,3-4,6H3,(H,20,22)/b14-9-,15-12-,17-10+,18-13+,21-16?
InChIKeyXBGONPDURARSGS-ASXFDDDBSA-N
XLogP4.87
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.87
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 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine?
The IUPAC name of 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine (CID 174360217) is 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine.
What is the SMILES notation for 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine?
The canonical SMILES for 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine is C=C/C=C\C(=C/C)C(C)=N/C(=N\C=C)NC(/C=C\C)=C/C=C.
What is the InChIKey of 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine?
The InChIKey is XBGONPDURARSGS-ASXFDDDBSA-N. The full InChI is InChI=1S/C19H25N3/c1-7-12-15-17(10-4)16(6)21-19(20-11-5)22-18(13-8-2)14-9-3/h7-15H,1-2,5H2,3-4,6H3,(H,20,22)/b14-9-,15-12-,17-10+,18-13+,21-16?.
What are the key properties of 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine?
2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine has a molecular weight of 295.43 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine is sourced from PubChem (CID 174360217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).