3-ethyl-N'-methylpent-2-enimidamide

C8H16N2 — CID 166555726

IUPAC3-ethyl-N'-methylpent-2-enimidamide
SMILESCCC(=C/C(N)=N/C)CC
InChIInChI=1S/C8H16N2/c1-4-7(5-2)6-8(9)10-3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyGHTXKLWGDBYFOO-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds3

About 3-ethyl-N'-methylpent-2-enimidamide

3-ethyl-N'-methylpent-2-enimidamide (PubChem CID 166555726) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-N'-methylpent-2-enimidamide.

Molecular Properties

Compound Name3-ethyl-N'-methylpent-2-enimidamide
PubChem CID166555726
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-ethyl-N'-methylpent-2-enimidamide
SMILESCCC(=C/C(N)=N/C)CC
InChIInChI=1S/C8H16N2/c1-4-7(5-2)6-8(9)10-3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyGHTXKLWGDBYFOO-UHFFFAOYSA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
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'}

Analyze 3-ethyl-N'-methylpent-2-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 3-ethyl-N'-methylpent-2-enimidamide?
The IUPAC name of 3-ethyl-N'-methylpent-2-enimidamide (CID 166555726) is 3-ethyl-N'-methylpent-2-enimidamide.
What is the SMILES notation for 3-ethyl-N'-methylpent-2-enimidamide?
The canonical SMILES for 3-ethyl-N'-methylpent-2-enimidamide is CCC(=C/C(N)=N/C)CC.
What is the InChIKey of 3-ethyl-N'-methylpent-2-enimidamide?
The InChIKey is GHTXKLWGDBYFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7(5-2)6-8(9)10-3/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 3-ethyl-N'-methylpent-2-enimidamide?
3-ethyl-N'-methylpent-2-enimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-methylpent-2-enimidamide is sourced from PubChem (CID 166555726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).