3-(4-aminobut-1-enyl)-N-methylaniline

C11H16N2 — CID 57197878

IUPAC3-(4-aminobut-1-enyl)-N-methylaniline
SMILESCNc1cccc(C=CCCN)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
InChIKeySJQLYPDIVYWUIV-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.09
Rot. Bonds4

About 3-(4-aminobut-1-enyl)-N-methylaniline

3-(4-aminobut-1-enyl)-N-methylaniline (PubChem CID 57197878) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-(4-aminobut-1-enyl)-N-methylaniline.

Molecular Properties

Compound Name3-(4-aminobut-1-enyl)-N-methylaniline
PubChem CID57197878
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-(4-aminobut-1-enyl)-N-methylaniline
SMILESCNc1cccc(C=CCCN)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
InChIKeySJQLYPDIVYWUIV-UHFFFAOYSA-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-(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-(4-aminobut-1-enyl)-N-methylaniline?
The IUPAC name of 3-(4-aminobut-1-enyl)-N-methylaniline (CID 57197878) is 3-(4-aminobut-1-enyl)-N-methylaniline.
What is the SMILES notation for 3-(4-aminobut-1-enyl)-N-methylaniline?
The canonical SMILES for 3-(4-aminobut-1-enyl)-N-methylaniline is CNc1cccc(C=CCCN)c1.
What is the InChIKey of 3-(4-aminobut-1-enyl)-N-methylaniline?
The InChIKey is SJQLYPDIVYWUIV-UHFFFAOYSA-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.
What are the key properties of 3-(4-aminobut-1-enyl)-N-methylaniline?
3-(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-(4-aminobut-1-enyl)-N-methylaniline is sourced from PubChem (CID 57197878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).