(E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane

C15H22ClN3 — CID 143338859

IUPAC(E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane
SMILESC=C(N)/N=C(\C=C(/C)Cl)Nc1ccc(C)cc1.CC
InChIInChI=1S/C13H16ClN3.C2H6/c1-9-4-6-12(7-5-9)17-13(8-10(2)14)16-11(3)15;1-2/h4-8H,3,15H2,1-2H3,(H,16,17);1-2H3/b10-8+;
InChIKeyJBRDCYZUEIQKGX-VRTOBVRTSA-N
MW279.82 g/mol
LogP4.40
Rot. Bonds3

About (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane

(E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane (PubChem CID 143338859) has the molecular formula C15H22ClN3 and a molecular weight of 279.82 g/mol. Its IUPAC name is (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane.

Molecular Properties

Compound Name(E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane
PubChem CID143338859
Molecular FormulaC15H22ClN3
Molecular Weight279.82 g/mol
Exact Mass279.15
IUPAC Name(E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane
SMILESC=C(N)/N=C(\C=C(/C)Cl)Nc1ccc(C)cc1.CC
InChIInChI=1S/C13H16ClN3.C2H6/c1-9-4-6-12(7-5-9)17-13(8-10(2)14)16-11(3)15;1-2/h4-8H,3,15H2,1-2H3,(H,16,17);1-2H3/b10-8+;
InChIKeyJBRDCYZUEIQKGX-VRTOBVRTSA-N
XLogP4.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.82
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N'-(1-aminoethenyl)-3-chloro-N-(3-chloro-4-methylphenyl)but-2-enimidamide;2-methylpropane
CID 143338928
N-buta-1,3-dien-2-yl-4-methylaniline;ethane
CID 143234838
N-buta-1,3-dien-2-yl-4-methylaniline
CID 143234839
(E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine
CID 142512509
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-(4-methylphenyl)acetamide
CID 7684
3-methyl-2-(4-methylanilino)but-3-enamide
CID 114784358
1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
CID 115640170
N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline
CID 177135056
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
acetylene;(3E,5E)-6-chloro-2,3-dimethylhepta-1,3,5-triene;hexane;4-methyl-N-prop-1-en-2-ylaniline
CID 143309043

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane?
The IUPAC name of (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane (CID 143338859) is (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane.
What is the SMILES notation for (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane?
The canonical SMILES for (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane is C=C(N)/N=C(\C=C(/C)Cl)Nc1ccc(C)cc1.CC.
What is the InChIKey of (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane?
The InChIKey is JBRDCYZUEIQKGX-VRTOBVRTSA-N. The full InChI is InChI=1S/C13H16ClN3.C2H6/c1-9-4-6-12(7-5-9)17-13(8-10(2)14)16-11(3)15;1-2/h4-8H,3,15H2,1-2H3,(H,16,17);1-2H3/b10-8+;.
What are the key properties of (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane?
(E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane has a molecular weight of 279.82 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(1-aminoethenyl)-3-chloro-N-(4-methylphenyl)but-2-enimidamide;ethane is sourced from PubChem (CID 143338859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).