N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide

C8H14N2 — CID 90248676

IUPACN'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide
SMILESC=C/C=C\CN/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-4-5-6-7-10-8(2)9-3/h4-6H,1,7H2,2-3H3,(H,9,10)/b6-5-
InChIKeyAMJIPTTVHXTZRI-WAYWQWQTSA-N
MW138.21 g/mol
LogP1.37
Rot. Bonds3

About N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide

N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide (PubChem CID 90248676) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide
PubChem CID90248676
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide
SMILESC=C/C=C\CN/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-4-5-6-7-10-8(2)9-3/h4-6H,1,7H2,2-3H3,(H,9,10)/b6-5-
InChIKeyAMJIPTTVHXTZRI-WAYWQWQTSA-N
XLogP1.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.37
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': 'polyene', 'substructure': 'N/A'}

Analyze N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide 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'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide (CID 90248676) is N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide is C=C/C=C\CN/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide?
The InChIKey is AMJIPTTVHXTZRI-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-6-7-10-8(2)9-3/h4-6H,1,7H2,2-3H3,(H,9,10)/b6-5-.
What are the key properties of N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide?
N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2Z)-penta-2,4-dienyl]ethanimidamide is sourced from PubChem (CID 90248676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).