2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline

C13H20N2 — CID 135213041

IUPAC2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline
SMILESCCNCC/C=C/c1ccccc1NC
InChIInChI=1S/C13H20N2/c1-3-15-11-7-6-9-12-8-4-5-10-13(12)14-2/h4-6,8-10,14-15H,3,7,11H2,1-2H3/b9-6+
InChIKeyZNQRMDQMKRMVRM-RMKNXTFCSA-N
MW204.32 g/mol
LogP2.74
Rot. Bonds6

About 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline

2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline (PubChem CID 135213041) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline
PubChem CID135213041
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline
SMILESCCNCC/C=C/c1ccccc1NC
InChIInChI=1S/C13H20N2/c1-3-15-11-7-6-9-12-8-4-5-10-13(12)14-2/h4-6,8-10,14-15H,3,7,11H2,1-2H3/b9-6+
InChIKeyZNQRMDQMKRMVRM-RMKNXTFCSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline?
The IUPAC name of 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline (CID 135213041) is 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline.
What is the SMILES notation for 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline?
The canonical SMILES for 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline is CCNCC/C=C/c1ccccc1NC.
What is the InChIKey of 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline?
The InChIKey is ZNQRMDQMKRMVRM-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15-11-7-6-9-12-8-4-5-10-13(12)14-2/h4-6,8-10,14-15H,3,7,11H2,1-2H3/b9-6+.
What are the key properties of 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline?
2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline is sourced from PubChem (CID 135213041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).