[1-amino-2-(4-iodophenyl)ethylidene]azanium

C8H10IN2+ — CID 6347130

IUPAC[1-amino-2-(4-iodophenyl)ethylidene]azanium
SMILESNC(=[NH2+])Cc1ccc(I)cc1
InChIInChI=1S/C8H9IN2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)/p+1
InChIKeyUPMWNIOLEDBEGW-UHFFFAOYSA-O
MW261.09 g/mol
LogP-0.05
Rot. Bonds2

About [1-amino-2-(4-iodophenyl)ethylidene]azanium

[1-amino-2-(4-iodophenyl)ethylidene]azanium (PubChem CID 6347130) has the molecular formula C8H10IN2+ and a molecular weight of 261.09 g/mol. Its IUPAC name is [1-amino-2-(4-iodophenyl)ethylidene]azanium.

Molecular Properties

Compound Name[1-amino-2-(4-iodophenyl)ethylidene]azanium
PubChem CID6347130
Molecular FormulaC8H10IN2+
Molecular Weight261.09 g/mol
Exact Mass260.99
IUPAC Name[1-amino-2-(4-iodophenyl)ethylidene]azanium
SMILESNC(=[NH2+])Cc1ccc(I)cc1
InChIInChI=1S/C8H9IN2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)/p+1
InChIKeyUPMWNIOLEDBEGW-UHFFFAOYSA-O
XLogP-0.05
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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 [1-amino-2-(4-iodophenyl)ethylidene]azanium?
The IUPAC name of [1-amino-2-(4-iodophenyl)ethylidene]azanium (CID 6347130) is [1-amino-2-(4-iodophenyl)ethylidene]azanium.
What is the SMILES notation for [1-amino-2-(4-iodophenyl)ethylidene]azanium?
The canonical SMILES for [1-amino-2-(4-iodophenyl)ethylidene]azanium is NC(=[NH2+])Cc1ccc(I)cc1.
What is the InChIKey of [1-amino-2-(4-iodophenyl)ethylidene]azanium?
The InChIKey is UPMWNIOLEDBEGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9IN2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)/p+1.
What are the key properties of [1-amino-2-(4-iodophenyl)ethylidene]azanium?
[1-amino-2-(4-iodophenyl)ethylidene]azanium has a molecular weight of 261.09 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(4-iodophenyl)ethylidene]azanium is sourced from PubChem (CID 6347130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).