4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline

C17H22N4 — CID 86173463

IUPAC4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C=Cc2nc(C)nc(C)n2)cc1
InChIInChI=1S/C17H22N4/c1-5-21(6-2)16-10-7-15(8-11-16)9-12-17-19-13(3)18-14(4)20-17/h7-12H,5-6H2,1-4H3
InChIKeySRPGNJDYSFDUGG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.51
Rot. Bonds5

About 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline

4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline (PubChem CID 86173463) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline
PubChem CID86173463
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C=Cc2nc(C)nc(C)n2)cc1
InChIInChI=1S/C17H22N4/c1-5-21(6-2)16-10-7-15(8-11-16)9-12-17-19-13(3)18-14(4)20-17/h7-12H,5-6H2,1-4H3
InChIKeySRPGNJDYSFDUGG-UHFFFAOYSA-N
XLogP3.51
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline
CID 101368819
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 122629396
2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine
CID 71426490
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
4-[(E)-2-[4-[(E)-2-[4,6-bis[(E)-2-[4-[(E)-2-[4-(dihexylamino)phenyl]ethenyl]phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]phenyl]ethenyl]-N,N-dihexylaniline
CID 11586243
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]benzaldehyde;4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]benzonitrile
CID 158727090
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline (CID 86173463) is 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(C=Cc2nc(C)nc(C)n2)cc1.
What is the InChIKey of 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline?
The InChIKey is SRPGNJDYSFDUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-5-21(6-2)16-10-7-15(8-11-16)9-12-17-19-13(3)18-14(4)20-17/h7-12H,5-6H2,1-4H3.
What are the key properties of 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline?
4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline has a molecular weight of 282.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 86173463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).