4-methylpent-3-enimidamide

C6H12N2 — CID 139797344

IUPAC4-methylpent-3-enimidamide
SMILES[H]/N=C(\N)CC=C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H3,7,8)
InChIKeyVRFPPYFSWUVGLO-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.28
Rot. Bonds2

About 4-methylpent-3-enimidamide

4-methylpent-3-enimidamide (PubChem CID 139797344) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-methylpent-3-enimidamide.

Molecular Properties

Compound Name4-methylpent-3-enimidamide
PubChem CID139797344
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-methylpent-3-enimidamide
SMILES[H]/N=C(\N)CC=C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H3,7,8)
InChIKeyVRFPPYFSWUVGLO-UHFFFAOYSA-N
XLogP1.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methylpent-3-enimidamide 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 4-methylpent-3-enimidamide?
The IUPAC name of 4-methylpent-3-enimidamide (CID 139797344) is 4-methylpent-3-enimidamide.
What is the SMILES notation for 4-methylpent-3-enimidamide?
The canonical SMILES for 4-methylpent-3-enimidamide is [H]/N=C(\N)CC=C(C)C.
What is the InChIKey of 4-methylpent-3-enimidamide?
The InChIKey is VRFPPYFSWUVGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H3,7,8).
What are the key properties of 4-methylpent-3-enimidamide?
4-methylpent-3-enimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-3-enimidamide is sourced from PubChem (CID 139797344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).