N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide

C6H11IN2 — CID 89085157

IUPACN'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide
SMILESCC(C)C(=C/I)/N=C/N
InChIInChI=1S/C6H11IN2/c1-5(2)6(3-7)9-4-8/h3-5H,1-2H3,(H2,8,9)/b6-3-
InChIKeyNMFPFMIGNNTEJU-UTCJRWHESA-N
MW238.07 g/mol
LogP1.91
Rot. Bonds2

About N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide

N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide (PubChem CID 89085157) has the molecular formula C6H11IN2 and a molecular weight of 238.07 g/mol. Its IUPAC name is N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide
PubChem CID89085157
Molecular FormulaC6H11IN2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC NameN'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide
SMILESCC(C)C(=C/I)/N=C/N
InChIInChI=1S/C6H11IN2/c1-5(2)6(3-7)9-4-8/h3-5H,1-2H3,(H2,8,9)/b6-3-
InChIKeyNMFPFMIGNNTEJU-UTCJRWHESA-N
XLogP1.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.91
H-Bond Donors ≤ 51
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'}

Analyze N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide (CID 89085157) is N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide is CC(C)C(=C/I)/N=C/N.
What is the InChIKey of N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide?
The InChIKey is NMFPFMIGNNTEJU-UTCJRWHESA-N. The full InChI is InChI=1S/C6H11IN2/c1-5(2)6(3-7)9-4-8/h3-5H,1-2H3,(H2,8,9)/b6-3-.
What are the key properties of N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide?
N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide has a molecular weight of 238.07 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide is sourced from PubChem (CID 89085157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).