2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine

C15H18N4O — CID 44542326

IUPAC2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine
SMILESCC(C)c1ccccc1-c1ccc(/C=N/N=C(N)N)o1
InChIInChI=1S/C15H18N4O/c1-10(2)12-5-3-4-6-13(12)14-8-7-11(20-14)9-18-19-15(16)17/h3-10H,1-2H3,(H4,16,17,19)/b18-9+
InChIKeyBEBUIPLXSYFAAX-GIJQJNRQSA-N
MW270.34 g/mol
LogP2.68
Rot. Bonds4

About 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine

2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine (PubChem CID 44542326) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine
PubChem CID44542326
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine
SMILESCC(C)c1ccccc1-c1ccc(/C=N/N=C(N)N)o1
InChIInChI=1S/C15H18N4O/c1-10(2)12-5-3-4-6-13(12)14-8-7-11(20-14)9-18-19-15(16)17/h3-10H,1-2H3,(H4,16,17,19)/b18-9+
InChIKeyBEBUIPLXSYFAAX-GIJQJNRQSA-N
XLogP2.68
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine (CID 44542326) is 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine is CC(C)c1ccccc1-c1ccc(/C=N/N=C(N)N)o1.
What is the InChIKey of 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine?
The InChIKey is BEBUIPLXSYFAAX-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(2)12-5-3-4-6-13(12)14-8-7-11(20-14)9-18-19-15(16)17/h3-10H,1-2H3,(H4,16,17,19)/b18-9+.
What are the key properties of 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine?
2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine has a molecular weight of 270.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine is sourced from PubChem (CID 44542326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).