N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide

C6H9IN2 — CID 166786208

IUPACN'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C=C(\C)I
InChIInChI=1S/C6H9IN2/c1-5(7)4-9-6(2)8-3/h4H,3H2,1-2H3/b5-4+,9-6+
InChIKeyHGIAAXYEJXXNHF-HSKKLARCSA-N
MW236.06 g/mol
LogP2.40
Rot. Bonds1

About N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide

N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide (PubChem CID 166786208) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide
PubChem CID166786208
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC NameN'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C=C(\C)I
InChIInChI=1S/C6H9IN2/c1-5(7)4-9-6(2)8-3/h4H,3H2,1-2H3/b5-4+,9-6+
InChIKeyHGIAAXYEJXXNHF-HSKKLARCSA-N
XLogP2.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide?
The IUPAC name of N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide (CID 166786208) is N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide?
The canonical SMILES for N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide is C=N/C(C)=N/C=C(\C)I.
What is the InChIKey of N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide?
The InChIKey is HGIAAXYEJXXNHF-HSKKLARCSA-N. The full InChI is InChI=1S/C6H9IN2/c1-5(7)4-9-6(2)8-3/h4H,3H2,1-2H3/b5-4+,9-6+.
What are the key properties of N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide?
N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide has a molecular weight of 236.06 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-iodoprop-1-enyl]-N-methylideneethanimidamide is sourced from PubChem (CID 166786208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).