1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide

C11H16N4 — CID 155370729

IUPAC1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide
SMILESC=N/C(=N\C=C(/C)CC)c1nccn1C
InChIInChI=1S/C11H16N4/c1-5-9(2)8-14-10(12-3)11-13-6-7-15(11)4/h6-8H,3,5H2,1-2,4H3/b9-8+,14-10-
InChIKeyQBWSDRVARMBUPT-RBDUQRJVSA-N
MW204.28 g/mol
LogP2.18
Rot. Bonds3

About 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide

1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide (PubChem CID 155370729) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide.

Molecular Properties

Compound Name1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide
PubChem CID155370729
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide
SMILESC=N/C(=N\C=C(/C)CC)c1nccn1C
InChIInChI=1S/C11H16N4/c1-5-9(2)8-14-10(12-3)11-13-6-7-15(11)4/h6-8H,3,5H2,1-2,4H3/b9-8+,14-10-
InChIKeyQBWSDRVARMBUPT-RBDUQRJVSA-N
XLogP2.18
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide 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 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide?
The IUPAC name of 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide (CID 155370729) is 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide.
What is the SMILES notation for 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide?
The canonical SMILES for 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide is C=N/C(=N\C=C(/C)CC)c1nccn1C.
What is the InChIKey of 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide?
The InChIKey is QBWSDRVARMBUPT-RBDUQRJVSA-N. The full InChI is InChI=1S/C11H16N4/c1-5-9(2)8-14-10(12-3)11-13-6-7-15(11)4/h6-8H,3,5H2,1-2,4H3/b9-8+,14-10-.
What are the key properties of 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide?
1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide has a molecular weight of 204.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylideneimidazole-2-carboximidamide is sourced from PubChem (CID 155370729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).