3-[(E)-4-aminobut-1-enyl]-N-methylaniline

C11H16N2 — CID 21184900

IUPAC3-[(E)-4-aminobut-1-enyl]-N-methylaniline
SMILESCNc1cccc(/C=C/CCN)c1
InChIInChI=1S/C11H16N2/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h2,4-7,9,13H,3,8,12H2,1H3/b5-2+
InChIKeySJQLYPDIVYWUIV-GORDUTHDSA-N
MW176.26 g/mol
LogP2.09
Rot. Bonds4

About 3-[(E)-4-aminobut-1-enyl]-N-methylaniline

3-[(E)-4-aminobut-1-enyl]-N-methylaniline (PubChem CID 21184900) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[(E)-4-aminobut-1-enyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(E)-4-aminobut-1-enyl]-N-methylaniline
PubChem CID21184900
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-[(E)-4-aminobut-1-enyl]-N-methylaniline
SMILESCNc1cccc(/C=C/CCN)c1
InChIInChI=1S/C11H16N2/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h2,4-7,9,13H,3,8,12H2,1H3/b5-2+
InChIKeySJQLYPDIVYWUIV-GORDUTHDSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-4-aminobut-1-enyl]-N-methylaniline 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 3-[(E)-4-aminobut-1-enyl]-N-methylaniline?
The IUPAC name of 3-[(E)-4-aminobut-1-enyl]-N-methylaniline (CID 21184900) is 3-[(E)-4-aminobut-1-enyl]-N-methylaniline.
What is the SMILES notation for 3-[(E)-4-aminobut-1-enyl]-N-methylaniline?
The canonical SMILES for 3-[(E)-4-aminobut-1-enyl]-N-methylaniline is CNc1cccc(/C=C/CCN)c1.
What is the InChIKey of 3-[(E)-4-aminobut-1-enyl]-N-methylaniline?
The InChIKey is SJQLYPDIVYWUIV-GORDUTHDSA-N. The full InChI is InChI=1S/C11H16N2/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h2,4-7,9,13H,3,8,12H2,1H3/b5-2+.
What are the key properties of 3-[(E)-4-aminobut-1-enyl]-N-methylaniline?
3-[(E)-4-aminobut-1-enyl]-N-methylaniline has a molecular weight of 176.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-aminobut-1-enyl]-N-methylaniline is sourced from PubChem (CID 21184900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).