1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine

C19H19N5 — CID 86279058

IUPAC1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
SMILESN/C(=N\N=C\C=C\c1ccccc1)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C19H19N5/c20-19(23-21-15-7-13-17-9-3-1-4-10-17)24-22-16-8-14-18-11-5-2-6-12-18/h1-16H,(H3,20,23,24)/b13-7+,14-8+,21-15+,22-16+
InChIKeyYNYUDLWQGGHJNY-AWKIKHLOSA-N
MW317.40 g/mol
LogP3.29
Rot. Bonds6

About 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine

1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine (PubChem CID 86279058) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
PubChem CID86279058
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
SMILESN/C(=N\N=C\C=C\c1ccccc1)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C19H19N5/c20-19(23-21-15-7-13-17-9-3-1-4-10-17)24-22-16-8-14-18-11-5-2-6-12-18/h1-16H,(H3,20,23,24)/b13-7+,14-8+,21-15+,22-16+
InChIKeyYNYUDLWQGGHJNY-AWKIKHLOSA-N
XLogP3.29
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
1,3-bis(cinnamylideneamino)urea
CID 2823909
N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide
CID 45048663
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 14690561
1-[(E)-cinnamylideneamino]-3-methylurea
CID 167350066
(E)-3-phenyl-N-(1-phenylethylideneamino)prop-2-en-1-imine
CID 165352585
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
CID 96889885

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine (CID 86279058) is 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine is N/C(=N\N=C\C=C\c1ccccc1)N/N=C/C=C/c1ccccc1.
What is the InChIKey of 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is YNYUDLWQGGHJNY-AWKIKHLOSA-N. The full InChI is InChI=1S/C19H19N5/c20-19(23-21-15-7-13-17-9-3-1-4-10-17)24-22-16-8-14-18-11-5-2-6-12-18/h1-16H,(H3,20,23,24)/b13-7+,14-8+,21-15+,22-16+.
What are the key properties of 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine?
1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 317.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 86279058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).