N-(1-iodoethyl)-N'-methylmethanimidamide

C4H9IN2 — CID 163628896

IUPACN-(1-iodoethyl)-N'-methylmethanimidamide
SMILESC/N=C/NC(C)I
InChIInChI=1S/C4H9IN2/c1-4(5)7-3-6-2/h3-4H,1-2H3,(H,6,7)
InChIKeyHUJNCNYKCDFVFP-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.02
Rot. Bonds2

About N-(1-iodoethyl)-N'-methylmethanimidamide

N-(1-iodoethyl)-N'-methylmethanimidamide (PubChem CID 163628896) has the molecular formula C4H9IN2 and a molecular weight of 212.03 g/mol. Its IUPAC name is N-(1-iodoethyl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(1-iodoethyl)-N'-methylmethanimidamide
PubChem CID163628896
Molecular FormulaC4H9IN2
Molecular Weight212.03 g/mol
Exact Mass211.98
IUPAC NameN-(1-iodoethyl)-N'-methylmethanimidamide
SMILESC/N=C/NC(C)I
InChIInChI=1S/C4H9IN2/c1-4(5)7-3-6-2/h3-4H,1-2H3,(H,6,7)
InChIKeyHUJNCNYKCDFVFP-UHFFFAOYSA-N
XLogP1.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.02
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide
CID 91204574
N'-methyl-N-pentan-3-ylmethanimidamide
CID 146960213
N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide
CID 142202873
N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
CID 139506562
N'-methyl-N-(methylamino)methanimidamide
CID 91075013
potassium;N,N'-dimethylmethanimidamide;hydride
CID 173129967
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide
CID 89221528
N,N',2-trimethylpropane-1,3-diimine
CID 89061546
N-(aminomethyl)-N'-methylmethanimidamide
CID 123185735
2-methylbutyl N-methylmethanimidothioate
CID 135141123
(Z)-N-(methyliminomethyl)but-2-enamide
CID 126653439
N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038

Frequently Asked Questions

What is the IUPAC name of N-(1-iodoethyl)-N'-methylmethanimidamide?
The IUPAC name of N-(1-iodoethyl)-N'-methylmethanimidamide (CID 163628896) is N-(1-iodoethyl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(1-iodoethyl)-N'-methylmethanimidamide?
The canonical SMILES for N-(1-iodoethyl)-N'-methylmethanimidamide is C/N=C/NC(C)I.
What is the InChIKey of N-(1-iodoethyl)-N'-methylmethanimidamide?
The InChIKey is HUJNCNYKCDFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IN2/c1-4(5)7-3-6-2/h3-4H,1-2H3,(H,6,7).
What are the key properties of N-(1-iodoethyl)-N'-methylmethanimidamide?
N-(1-iodoethyl)-N'-methylmethanimidamide has a molecular weight of 212.03 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodoethyl)-N'-methylmethanimidamide is sourced from PubChem (CID 163628896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).