2-(3-aminoprop-1-enyl)aniline

C9H12N2 — CID 67152713

IUPAC2-(3-aminoprop-1-enyl)aniline
SMILESNCC=Cc1ccccc1N
InChIInChI=1S/C9H12N2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-6H,7,10-11H2
InChIKeyPUAYRZOSQIENIO-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.24
Rot. Bonds2

About 2-(3-aminoprop-1-enyl)aniline

2-(3-aminoprop-1-enyl)aniline (PubChem CID 67152713) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(3-aminoprop-1-enyl)aniline.

Molecular Properties

Compound Name2-(3-aminoprop-1-enyl)aniline
PubChem CID67152713
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-(3-aminoprop-1-enyl)aniline
SMILESNCC=Cc1ccccc1N
InChIInChI=1S/C9H12N2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-6H,7,10-11H2
InChIKeyPUAYRZOSQIENIO-UHFFFAOYSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-aminoprop-1-enyl)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 2-(3-aminoprop-1-enyl)aniline?
The IUPAC name of 2-(3-aminoprop-1-enyl)aniline (CID 67152713) is 2-(3-aminoprop-1-enyl)aniline.
What is the SMILES notation for 2-(3-aminoprop-1-enyl)aniline?
The canonical SMILES for 2-(3-aminoprop-1-enyl)aniline is NCC=Cc1ccccc1N.
What is the InChIKey of 2-(3-aminoprop-1-enyl)aniline?
The InChIKey is PUAYRZOSQIENIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-6H,7,10-11H2.
What are the key properties of 2-(3-aminoprop-1-enyl)aniline?
2-(3-aminoprop-1-enyl)aniline has a molecular weight of 148.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-enyl)aniline is sourced from PubChem (CID 67152713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).