N,N'-diethyl-2-iodoethanimidamide

C6H13IN2 — CID 135291555

IUPACN,N'-diethyl-2-iodoethanimidamide
SMILESCC/N=C(\CI)NCC
InChIInChI=1S/C6H13IN2/c1-3-8-6(5-7)9-4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyKSALPQMHYIPWJG-UHFFFAOYSA-N
MW240.09 g/mol
LogP1.45
Rot. Bonds3

About N,N'-diethyl-2-iodoethanimidamide

N,N'-diethyl-2-iodoethanimidamide (PubChem CID 135291555) has the molecular formula C6H13IN2 and a molecular weight of 240.09 g/mol. Its IUPAC name is N,N'-diethyl-2-iodoethanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-2-iodoethanimidamide
PubChem CID135291555
Molecular FormulaC6H13IN2
Molecular Weight240.09 g/mol
Exact Mass240.01
IUPAC NameN,N'-diethyl-2-iodoethanimidamide
SMILESCC/N=C(\CI)NCC
InChIInChI=1S/C6H13IN2/c1-3-8-6(5-7)9-4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyKSALPQMHYIPWJG-UHFFFAOYSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N,N'-diethylpropanimidamide;hydrochloride
CID 172818517
1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine
CID 176541502
N,N'-diethyl-2-oxoethanimidamide
CID 123980775
N-ethyl-4-ethyliminopent-2-en-2-amine
CID 72526443
2-(N,N'-diethylcarbamimidoyl)sulfanylethyl N,N'-diethylcarbamimidothioate;hydrobromide
CID 54604706
N'-ethyl-N-hydrazinylpropanimidamide
CID 129166827
2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide
CID 21430129
2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride
CID 45260207
N,N'-diethyl-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride
CID 45266047
ethanol;ethylthiourea;methyl N'-ethylcarbamimidothioate;hydroiodide
CID 159808778
N-ethyl-3-methylbut-2-en-2-amine
CID 143053447
[N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidoyl] 2-iodoacetate
CID 154935496

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-2-iodoethanimidamide?
The IUPAC name of N,N'-diethyl-2-iodoethanimidamide (CID 135291555) is N,N'-diethyl-2-iodoethanimidamide.
What is the SMILES notation for N,N'-diethyl-2-iodoethanimidamide?
The canonical SMILES for N,N'-diethyl-2-iodoethanimidamide is CC/N=C(\CI)NCC.
What is the InChIKey of N,N'-diethyl-2-iodoethanimidamide?
The InChIKey is KSALPQMHYIPWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IN2/c1-3-8-6(5-7)9-4-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of N,N'-diethyl-2-iodoethanimidamide?
N,N'-diethyl-2-iodoethanimidamide has a molecular weight of 240.09 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-iodoethanimidamide is sourced from PubChem (CID 135291555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).