4-ethenyl-N-ethyl-N-propylaniline

C13H19N — CID 89377389

IUPAC4-ethenyl-N-ethyl-N-propylaniline
SMILESC=Cc1ccc(N(CC)CCC)cc1
InChIInChI=1S/C13H19N/c1-4-11-14(6-3)13-9-7-12(5-2)8-10-13/h5,7-10H,2,4,6,11H2,1,3H3
InChIKeyGDFUXVKKCLIKFZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.57
Rot. Bonds5

About 4-ethenyl-N-ethyl-N-propylaniline

4-ethenyl-N-ethyl-N-propylaniline (PubChem CID 89377389) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-ethenyl-N-ethyl-N-propylaniline.

Molecular Properties

Compound Name4-ethenyl-N-ethyl-N-propylaniline
PubChem CID89377389
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-ethenyl-N-ethyl-N-propylaniline
SMILESC=Cc1ccc(N(CC)CCC)cc1
InChIInChI=1S/C13H19N/c1-4-11-14(6-3)13-9-7-12(5-2)8-10-13/h5,7-10H,2,4,6,11H2,1,3H3
InChIKeyGDFUXVKKCLIKFZ-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 141404078
2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol
CID 69382190
4-(bromomethyl)-N-ethyl-N-propylaniline
CID 107079955
4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline
CID 23067785
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline
CID 66815318
2-ethenyl-4-[ethyl(propyl)amino]benzoic acid
CID 70518860
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-ethyl-N-propylaniline?
The IUPAC name of 4-ethenyl-N-ethyl-N-propylaniline (CID 89377389) is 4-ethenyl-N-ethyl-N-propylaniline.
What is the SMILES notation for 4-ethenyl-N-ethyl-N-propylaniline?
The canonical SMILES for 4-ethenyl-N-ethyl-N-propylaniline is C=Cc1ccc(N(CC)CCC)cc1.
What is the InChIKey of 4-ethenyl-N-ethyl-N-propylaniline?
The InChIKey is GDFUXVKKCLIKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-11-14(6-3)13-9-7-12(5-2)8-10-13/h5,7-10H,2,4,6,11H2,1,3H3.
What are the key properties of 4-ethenyl-N-ethyl-N-propylaniline?
4-ethenyl-N-ethyl-N-propylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-ethyl-N-propylaniline is sourced from PubChem (CID 89377389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).