N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide

C5H9IN2 — CID 135129023

IUPACN-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide
SMILESC/N=C(C)/N=C(\C)I
InChIInChI=1S/C5H9IN2/c1-4(6)8-5(2)7-3/h1-3H3/b7-5+,8-4+
InChIKeyINYODUBJZRSUDS-JBVHCYJISA-N
MW224.04 g/mol
LogP1.89
Rot. Bonds

About N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide

N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide (PubChem CID 135129023) has the molecular formula C5H9IN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide.

Molecular Properties

Compound NameN-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide
PubChem CID135129023
Molecular FormulaC5H9IN2
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC NameN-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide
SMILESC/N=C(C)/N=C(\C)I
InChIInChI=1S/C5H9IN2/c1-4(6)8-5(2)7-3/h1-3H3/b7-5+,8-4+
InChIKeyINYODUBJZRSUDS-JBVHCYJISA-N
XLogP1.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.89
H-Bond Donors ≤ 50
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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Related Compounds

N'-methyl-N-propan-2-ylideneethanimidamide
CID 158478143
ethane;N'-methyl-N-propan-2-ylideneethanimidamide
CID 142000403
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
CID 130436154
N-hydroxyethanimidoyl iodide
CID 173361883
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
CID 155041471
ethane;N'-methyl-N-methyliminoethanimidamide
CID 145279493
N-ethylidene-N'-methylethanimidamide
CID 58796711
N-methylethanimidoyl isocyanate
CID 173494275
prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate
CID 166894165
(Z)-3-iodo-N-methyl-1,2-bis(phosphanyl)but-2-en-1-imine
CID 144680139
2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
CID 20647692
N'-methylethanimidamide;vanadium
CID 161014708

Frequently Asked Questions

What is the IUPAC name of N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide?
The IUPAC name of N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide (CID 135129023) is N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide.
What is the SMILES notation for N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide?
The canonical SMILES for N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide is C/N=C(C)/N=C(\C)I.
What is the InChIKey of N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide?
The InChIKey is INYODUBJZRSUDS-JBVHCYJISA-N. The full InChI is InChI=1S/C5H9IN2/c1-4(6)8-5(2)7-3/h1-3H3/b7-5+,8-4+.
What are the key properties of N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide?
N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide has a molecular weight of 224.04 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide is sourced from PubChem (CID 135129023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).