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

C19H23N3 — CID 174358789

IUPAC2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine
SMILESC=C/C=C(\C=C/C)N/C(N=C(C=C)/C(C=C)=C/C=C)=N\C=C
InChIInChI=1S/C19H23N3/c1-7-13-16(10-4)18(11-5)22-19(20-12-6)21-17(14-8-2)15-9-3/h7-15H,1-2,4-6H2,3H3,(H,20,21)/b15-9-,16-13+,17-14+,22-18?
InChIKeyQOGJFTPKLHQIMO-TYVBFAKYSA-N
MW293.41 g/mol
LogP4.65
Rot. Bonds8

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

2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine (PubChem CID 174358789) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine.

Molecular Properties

Compound Name2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine
PubChem CID174358789
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine
SMILESC=C/C=C(\C=C/C)N/C(N=C(C=C)/C(C=C)=C/C=C)=N\C=C
InChIInChI=1S/C19H23N3/c1-7-13-16(10-4)18(11-5)22-19(20-12-6)21-17(14-8-2)15-9-3/h7-15H,1-2,4-6H2,3H3,(H,20,21)/b15-9-,16-13+,17-14+,22-18?
InChIKeyQOGJFTPKLHQIMO-TYVBFAKYSA-N
XLogP4.65
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.65
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-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine?
The IUPAC name of 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine (CID 174358789) is 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine.
What is the SMILES notation for 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine?
The canonical SMILES for 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine is 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)-hepta-1,3,5-trien-4-yl]guanidine?
The InChIKey is QOGJFTPKLHQIMO-TYVBFAKYSA-N. The full InChI is InChI=1S/C19H23N3/c1-7-13-16(10-4)18(11-5)22-19(20-12-6)21-17(14-8-2)15-9-3/h7-15H,1-2,4-6H2,3H3,(H,20,21)/b15-9-,16-13+,17-14+,22-18?.
What are the key properties of 2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine?
2-ethenyl-1-[(4E)-4-ethenylhepta-1,4,6-trien-3-ylidene]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]guanidine has a molecular weight of 293.41 g/mol, XLogP of 4.65, 8 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)-hepta-1,3,5-trien-4-yl]guanidine is sourced from PubChem (CID 174358789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).