(2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide

C14H28N2 — CID 167138680

IUPAC(2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide
SMILESC/C=C(CCC)/C(N)=N/C[C@H](CC)CCC
InChIInChI=1S/C14H28N2/c1-5-9-12(7-3)11-16-14(15)13(8-4)10-6-2/h8,12H,5-7,9-11H2,1-4H3,(H2,15,16)/b13-8+/t12-/m1/s1
InChIKeyFTWVEDHIHZNUFR-FMNNIJNLSA-N
MW224.39 g/mol
LogP3.92
Rot. Bonds8

About (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide

(2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide (PubChem CID 167138680) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide.

Molecular Properties

Compound Name(2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide
PubChem CID167138680
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide
SMILESC/C=C(CCC)/C(N)=N/C[C@H](CC)CCC
InChIInChI=1S/C14H28N2/c1-5-9-12(7-3)11-16-14(15)13(8-4)10-6-2/h8,12H,5-7,9-11H2,1-4H3,(H2,15,16)/b13-8+/t12-/m1/s1
InChIKeyFTWVEDHIHZNUFR-FMNNIJNLSA-N
XLogP3.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.92
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 (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide 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 (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide?
The IUPAC name of (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide (CID 167138680) is (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide.
What is the SMILES notation for (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide?
The canonical SMILES for (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide is C/C=C(CCC)/C(N)=N/C[C@H](CC)CCC.
What is the InChIKey of (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide?
The InChIKey is FTWVEDHIHZNUFR-FMNNIJNLSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-9-12(7-3)11-16-14(15)13(8-4)10-6-2/h8,12H,5-7,9-11H2,1-4H3,(H2,15,16)/b13-8+/t12-/m1/s1.
What are the key properties of (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide?
(2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide has a molecular weight of 224.39 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide is sourced from PubChem (CID 167138680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).