N'-(N'-iodocarbamimidoyl)methanimidamide

C2H5IN4 — CID 147068103

IUPACN'-(N'-iodocarbamimidoyl)methanimidamide
SMILESNC=NC(N)=NI
InChIInChI=1S/C2H5IN4/c3-7-2(5)6-1-4/h1H,(H4,4,5,6,7)
InChIKeyBEMXBIZSDZEJTM-UHFFFAOYSA-N
MW211.99 g/mol
LogP-0.36
Rot. Bonds

About N'-(N'-iodocarbamimidoyl)methanimidamide

N'-(N'-iodocarbamimidoyl)methanimidamide (PubChem CID 147068103) has the molecular formula C2H5IN4 and a molecular weight of 211.99 g/mol. Its IUPAC name is N'-(N'-iodocarbamimidoyl)methanimidamide.

Molecular Properties

Compound NameN'-(N'-iodocarbamimidoyl)methanimidamide
PubChem CID147068103
Molecular FormulaC2H5IN4
Molecular Weight211.99 g/mol
Exact Mass211.96
IUPAC NameN'-(N'-iodocarbamimidoyl)methanimidamide
SMILESNC=NC(N)=NI
InChIInChI=1S/C2H5IN4/c3-7-2(5)6-1-4/h1H,(H4,4,5,6,7)
InChIKeyBEMXBIZSDZEJTM-UHFFFAOYSA-N
XLogP-0.36
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.99
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
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'-(N'-iodocarbamimidoyl)methanimidamide?
The IUPAC name of N'-(N'-iodocarbamimidoyl)methanimidamide (CID 147068103) is N'-(N'-iodocarbamimidoyl)methanimidamide.
What is the SMILES notation for N'-(N'-iodocarbamimidoyl)methanimidamide?
The canonical SMILES for N'-(N'-iodocarbamimidoyl)methanimidamide is NC=NC(N)=NI.
What is the InChIKey of N'-(N'-iodocarbamimidoyl)methanimidamide?
The InChIKey is BEMXBIZSDZEJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5IN4/c3-7-2(5)6-1-4/h1H,(H4,4,5,6,7).
What are the key properties of N'-(N'-iodocarbamimidoyl)methanimidamide?
N'-(N'-iodocarbamimidoyl)methanimidamide has a molecular weight of 211.99 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-iodocarbamimidoyl)methanimidamide is sourced from PubChem (CID 147068103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).