5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline

C13H17N3 — CID 145222311

IUPAC5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline
SMILESC=Nc1ccc(CC(=C/C)/N=C/C)cc1N
InChIInChI=1S/C13H17N3/c1-4-11(16-5-2)8-10-6-7-13(15-3)12(14)9-10/h4-7,9H,3,8,14H2,1-2H3/b11-4-,16-5+
InChIKeyGAUSQDSYXYIMFY-WWNHGVRKSA-N
MW215.30 g/mol
LogP3.14
Rot. Bonds4

About 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline

5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline (PubChem CID 145222311) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline.

Molecular Properties

Compound Name5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline
PubChem CID145222311
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline
SMILESC=Nc1ccc(CC(=C/C)/N=C/C)cc1N
InChIInChI=1S/C13H17N3/c1-4-11(16-5-2)8-10-6-7-13(15-3)12(14)9-10/h4-7,9H,3,8,14H2,1-2H3/b11-4-,16-5+
InChIKeyGAUSQDSYXYIMFY-WWNHGVRKSA-N
XLogP3.14
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline?
The IUPAC name of 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline (CID 145222311) is 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline.
What is the SMILES notation for 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline?
The canonical SMILES for 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline is C=Nc1ccc(CC(=C/C)/N=C/C)cc1N.
What is the InChIKey of 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline?
The InChIKey is GAUSQDSYXYIMFY-WWNHGVRKSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-11(16-5-2)8-10-6-7-13(15-3)12(14)9-10/h4-7,9H,3,8,14H2,1-2H3/b11-4-,16-5+.
What are the key properties of 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline?
5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline has a molecular weight of 215.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(ethylideneamino)but-2-enyl]-2-(methylideneamino)aniline is sourced from PubChem (CID 145222311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).