N'-(4-iodophenyl)propanimidamide

C9H11IN2 — CID 63173909

IUPACN'-(4-iodophenyl)propanimidamide
SMILESCC/C(N)=N\c1ccc(I)cc1
InChIInChI=1S/C9H11IN2/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyUCNYOEFATVJZCW-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.69
Rot. Bonds2

About N'-(4-iodophenyl)propanimidamide

N'-(4-iodophenyl)propanimidamide (PubChem CID 63173909) has the molecular formula C9H11IN2 and a molecular weight of 274.11 g/mol. Its IUPAC name is N'-(4-iodophenyl)propanimidamide.

Molecular Properties

Compound NameN'-(4-iodophenyl)propanimidamide
PubChem CID63173909
Molecular FormulaC9H11IN2
Molecular Weight274.11 g/mol
Exact Mass274.00
IUPAC NameN'-(4-iodophenyl)propanimidamide
SMILESCC/C(N)=N\c1ccc(I)cc1
InChIInChI=1S/C9H11IN2/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyUCNYOEFATVJZCW-UHFFFAOYSA-N
XLogP2.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.69
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-iodophenyl)propanimidamide?
The IUPAC name of N'-(4-iodophenyl)propanimidamide (CID 63173909) is N'-(4-iodophenyl)propanimidamide.
What is the SMILES notation for N'-(4-iodophenyl)propanimidamide?
The canonical SMILES for N'-(4-iodophenyl)propanimidamide is CC/C(N)=N\c1ccc(I)cc1.
What is the InChIKey of N'-(4-iodophenyl)propanimidamide?
The InChIKey is UCNYOEFATVJZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12).
What are the key properties of N'-(4-iodophenyl)propanimidamide?
N'-(4-iodophenyl)propanimidamide has a molecular weight of 274.11 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodophenyl)propanimidamide is sourced from PubChem (CID 63173909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).