N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide

C8H15IN2 — CID 166786274

IUPACN-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide
SMILESC=C(N/C(C)=N/C)C(C)(C)I
InChIInChI=1S/C8H15IN2/c1-6(8(3,4)9)11-7(2)10-5/h1H2,2-5H3,(H,10,11)
InChIKeyWTWNZPTUTQHFQL-UHFFFAOYSA-N
MW266.13 g/mol
LogP2.35
Rot. Bonds2

About N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide

N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide (PubChem CID 166786274) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide
PubChem CID166786274
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC NameN-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide
SMILESC=C(N/C(C)=N/C)C(C)(C)I
InChIInChI=1S/C8H15IN2/c1-6(8(3,4)9)11-7(2)10-5/h1H2,2-5H3,(H,10,11)
InChIKeyWTWNZPTUTQHFQL-UHFFFAOYSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide?
The IUPAC name of N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide (CID 166786274) is N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide.
What is the SMILES notation for N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide?
The canonical SMILES for N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide is C=C(N/C(C)=N/C)C(C)(C)I.
What is the InChIKey of N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide?
The InChIKey is WTWNZPTUTQHFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2/c1-6(8(3,4)9)11-7(2)10-5/h1H2,2-5H3,(H,10,11).
What are the key properties of N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide?
N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide has a molecular weight of 266.13 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide is sourced from PubChem (CID 166786274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).