N'-ethoxy-N,N-diiodoethanimidamide

C4H8I2N2O — CID 139453376

IUPACN'-ethoxy-N,N-diiodoethanimidamide
SMILESCCO/N=C(/C)N(I)I
InChIInChI=1S/C4H8I2N2O/c1-3-9-7-4(2)8(5)6/h3H2,1-2H3/b7-4-
InChIKeyIICJWXGHCAPTHP-DAXSKMNVSA-N
MW353.93 g/mol
LogP2.36
Rot. Bonds2

About N'-ethoxy-N,N-diiodoethanimidamide

N'-ethoxy-N,N-diiodoethanimidamide (PubChem CID 139453376) has the molecular formula C4H8I2N2O and a molecular weight of 353.93 g/mol. Its IUPAC name is N'-ethoxy-N,N-diiodoethanimidamide.

Molecular Properties

Compound NameN'-ethoxy-N,N-diiodoethanimidamide
PubChem CID139453376
Molecular FormulaC4H8I2N2O
Molecular Weight353.93 g/mol
Exact Mass353.87
IUPAC NameN'-ethoxy-N,N-diiodoethanimidamide
SMILESCCO/N=C(/C)N(I)I
InChIInChI=1S/C4H8I2N2O/c1-3-9-7-4(2)8(5)6/h3H2,1-2H3/b7-4-
InChIKeyIICJWXGHCAPTHP-DAXSKMNVSA-N
XLogP2.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.93
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,3-N-diethoxybutane-2,3-diimine
CID 20677078
N-ethoxybutan-2-imine
CID 54202913
(2Z)-2-ethoxyiminopropanoic acid
CID 55298228
acetic acid;1,1-dibromo-N-ethoxymethanimine
CID 175187018
N-ethoxyhexan-2-imine
CID 86028505
ethane;(Z)-N-ethoxypent-4-yn-2-imine
CID 142624885
4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol
CID 3074066
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol
CID 6510140
N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide
CID 118537959
2-ethoxyiminobutanal
CID 159082631
methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate
CID 135514855
sodium;(Z)-N-ethoxy-1-phosphorosooxypropan-2-imine;hydride
CID 173083185

Frequently Asked Questions

What is the IUPAC name of N'-ethoxy-N,N-diiodoethanimidamide?
The IUPAC name of N'-ethoxy-N,N-diiodoethanimidamide (CID 139453376) is N'-ethoxy-N,N-diiodoethanimidamide.
What is the SMILES notation for N'-ethoxy-N,N-diiodoethanimidamide?
The canonical SMILES for N'-ethoxy-N,N-diiodoethanimidamide is CCO/N=C(/C)N(I)I.
What is the InChIKey of N'-ethoxy-N,N-diiodoethanimidamide?
The InChIKey is IICJWXGHCAPTHP-DAXSKMNVSA-N. The full InChI is InChI=1S/C4H8I2N2O/c1-3-9-7-4(2)8(5)6/h3H2,1-2H3/b7-4-.
What are the key properties of N'-ethoxy-N,N-diiodoethanimidamide?
N'-ethoxy-N,N-diiodoethanimidamide has a molecular weight of 353.93 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethoxy-N,N-diiodoethanimidamide is sourced from PubChem (CID 139453376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).