N-[(E)-ethylideneamino]aniline

C8H10N2 — CID 6537404

IUPACN-[(E)-ethylideneamino]aniline
SMILESC/C=N/Nc1ccccc1
InChIInChI=1S/C8H10N2/c1-2-9-10-8-6-4-3-5-7-8/h2-7,10H,1H3/b9-2+
InChIKeyKURBTRNHGDQKOS-XNWCZRBMSA-N
MW134.18 g/mol
LogP2.10
Rot. Bonds2

About N-[(E)-ethylideneamino]aniline

N-[(E)-ethylideneamino]aniline (PubChem CID 6537404) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]aniline
PubChem CID6537404
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN-[(E)-ethylideneamino]aniline
SMILESC/C=N/Nc1ccccc1
InChIInChI=1S/C8H10N2/c1-2-9-10-8-6-4-3-5-7-8/h2-7,10H,1H3/b9-2+
InChIKeyKURBTRNHGDQKOS-XNWCZRBMSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-ethylideneamino]aniline 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-[(E)-ethylideneamino]aniline?
The IUPAC name of N-[(E)-ethylideneamino]aniline (CID 6537404) is N-[(E)-ethylideneamino]aniline.
What is the SMILES notation for N-[(E)-ethylideneamino]aniline?
The canonical SMILES for N-[(E)-ethylideneamino]aniline is C/C=N/Nc1ccccc1.
What is the InChIKey of N-[(E)-ethylideneamino]aniline?
The InChIKey is KURBTRNHGDQKOS-XNWCZRBMSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-9-10-8-6-4-3-5-7-8/h2-7,10H,1H3/b9-2+.
What are the key properties of N-[(E)-ethylideneamino]aniline?
N-[(E)-ethylideneamino]aniline has a molecular weight of 134.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]aniline is sourced from PubChem (CID 6537404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).