2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine

C17H17N5 — CID 178024660

IUPAC2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine
SMILESNC/C(=N\N=C(N)N)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C17H17N5/c18-12-16(21-22-17(19)20)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,12,18H2,(H4,19,20,22)/b21-16+
InChIKeyGCNTZKATQAKVMJ-LTGZKZEYSA-N
MW291.36 g/mol
LogP1.02
Rot. Bonds3

About 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine

2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine (PubChem CID 178024660) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine
PubChem CID178024660
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine
SMILESNC/C(=N\N=C(N)N)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C17H17N5/c18-12-16(21-22-17(19)20)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,12,18H2,(H4,19,20,22)/b21-16+
InChIKeyGCNTZKATQAKVMJ-LTGZKZEYSA-N
XLogP1.02
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine (CID 178024660) is 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine is NC/C(=N\N=C(N)N)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine?
The InChIKey is GCNTZKATQAKVMJ-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H17N5/c18-12-16(21-22-17(19)20)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,12,18H2,(H4,19,20,22)/b21-16+.
What are the key properties of 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine?
2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine has a molecular weight of 291.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-amino-1-[4-(2-phenylethynyl)phenyl]ethylidene]amino]guanidine is sourced from PubChem (CID 178024660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).