2-iodo-N-(methyliminomethyl)ethanimidamide

C4H8IN3 — CID 176523218

IUPAC2-iodo-N-(methyliminomethyl)ethanimidamide
SMILES[H]/N=C(\CI)N/C=N/C
InChIInChI=1S/C4H8IN3/c1-7-3-8-4(6)2-5/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyGOVOCKOHSHTXPM-UHFFFAOYSA-N
MW225.03 g/mol
LogP0.65
Rot. Bonds2

About 2-iodo-N-(methyliminomethyl)ethanimidamide

2-iodo-N-(methyliminomethyl)ethanimidamide (PubChem CID 176523218) has the molecular formula C4H8IN3 and a molecular weight of 225.03 g/mol. Its IUPAC name is 2-iodo-N-(methyliminomethyl)ethanimidamide.

Molecular Properties

Compound Name2-iodo-N-(methyliminomethyl)ethanimidamide
PubChem CID176523218
Molecular FormulaC4H8IN3
Molecular Weight225.03 g/mol
Exact Mass224.98
IUPAC Name2-iodo-N-(methyliminomethyl)ethanimidamide
SMILES[H]/N=C(\CI)N/C=N/C
InChIInChI=1S/C4H8IN3/c1-7-3-8-4(6)2-5/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyGOVOCKOHSHTXPM-UHFFFAOYSA-N
XLogP0.65
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-imino-2-(methyliminomethylamino)acetic acid
CID 176535373
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide
CID 163978449
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide
CID 143760163
(Z)-N-(methyliminomethyl)but-2-enamide
CID 126653439
N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 143256855
N-(ethenyliminomethyl)carbamimidoyl iodide
CID 176527742
3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
CID 176533594
N-(aminomethyl)-N'-methylmethanimidamide
CID 123185735
1-N,3-dimethylbutane-1,2-diimine
CID 123957798
N-ethyl-N-(methyliminomethyl)propanimidamide
CID 131979243
N'-methyl-N-(propan-2-ylideneamino)methanimidamide
CID 129046835

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(methyliminomethyl)ethanimidamide?
The IUPAC name of 2-iodo-N-(methyliminomethyl)ethanimidamide (CID 176523218) is 2-iodo-N-(methyliminomethyl)ethanimidamide.
What is the SMILES notation for 2-iodo-N-(methyliminomethyl)ethanimidamide?
The canonical SMILES for 2-iodo-N-(methyliminomethyl)ethanimidamide is [H]/N=C(\CI)N/C=N/C.
What is the InChIKey of 2-iodo-N-(methyliminomethyl)ethanimidamide?
The InChIKey is GOVOCKOHSHTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8IN3/c1-7-3-8-4(6)2-5/h3H,2H2,1H3,(H2,6,7,8).
What are the key properties of 2-iodo-N-(methyliminomethyl)ethanimidamide?
2-iodo-N-(methyliminomethyl)ethanimidamide has a molecular weight of 225.03 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(methyliminomethyl)ethanimidamide is sourced from PubChem (CID 176523218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).