N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline

C18H22N2 — CID 68655204

IUPACN,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline
SMILESCCN(CC)c1ccc(/C=C/Cc2ccncc2)cc1
InChIInChI=1S/C18H22N2/c1-3-20(4-2)18-10-8-16(9-11-18)6-5-7-17-12-14-19-15-13-17/h5-6,8-15H,3-4,7H2,1-2H3/b6-5+
InChIKeyGSHWLQKMOJELJZ-AATRIKPKSA-N
MW266.39 g/mol
LogP4.18
Rot. Bonds6

About N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline

N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline (PubChem CID 68655204) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline
PubChem CID68655204
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline
SMILESCCN(CC)c1ccc(/C=C/Cc2ccncc2)cc1
InChIInChI=1S/C18H22N2/c1-3-20(4-2)18-10-8-16(9-11-18)6-5-7-17-12-14-19-15-13-17/h5-6,8-15H,3-4,7H2,1-2H3/b6-5+
InChIKeyGSHWLQKMOJELJZ-AATRIKPKSA-N
XLogP4.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-(3-pyridin-4-ylprop-1-enyl)aniline
CID 57073897
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
4-[(Z)-pent-2-enyl]pyridine
CID 23253538
N,N-dihexadecyl-4-(3-pyridin-1-ium-4-ylprop-1-enyl)aniline iodide
CID 91533990
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 122629396

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline (CID 68655204) is N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline is CCN(CC)c1ccc(/C=C/Cc2ccncc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline?
The InChIKey is GSHWLQKMOJELJZ-AATRIKPKSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-20(4-2)18-10-8-16(9-11-18)6-5-7-17-12-14-19-15-13-17/h5-6,8-15H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline?
N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-3-pyridin-4-ylprop-1-enyl]aniline is sourced from PubChem (CID 68655204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).