4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline

C20H28N2 — CID 141046807

IUPAC4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(/C=C/C2=CCN(C)C=C2)cc1
InChIInChI=1S/C20H28N2/c1-4-14-22(15-5-2)20-10-8-18(9-11-20)6-7-19-12-16-21(3)17-13-19/h6-13,16H,4-5,14-15,17H2,1-3H3/b7-6+
InChIKeyITWWKPBUPQXTDV-VOTSOKGWSA-N
MW296.46 g/mol
LogP4.71
Rot. Bonds7

About 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline

4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline (PubChem CID 141046807) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline.

Molecular Properties

Compound Name4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline
PubChem CID141046807
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(/C=C/C2=CCN(C)C=C2)cc1
InChIInChI=1S/C20H28N2/c1-4-14-22(15-5-2)20-10-8-18(9-11-20)6-7-19-12-16-21(3)17-13-19/h6-13,16H,4-5,14-15,17H2,1-3H3/b7-6+
InChIKeyITWWKPBUPQXTDV-VOTSOKGWSA-N
XLogP4.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.71
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

4-[2-(1-methyl-2H-pyridin-4-yl)ethenyl]phenol iodide
CID 57357705
4-[2-(1-docosyl-2H-pyridin-4-yl)ethenyl]-N,N-dimethylaniline;hydrobromide
CID 175335240
3-[4-[2-[4-(dihexylamino)phenyl]ethenyl]-2H-pyridin-1-yl]propane-1-sulfonic acid
CID 72596297
4-[(Z)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-dipropylaniline
CID 23276210
4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-dipropylaniline
CID 139198470
4-[(Z)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-dipropylaniline chloride
CID 23276209
3-[4-[4-[4-(dibutylamino)phenyl]buta-1,3-dienyl]-2H-pyridin-1-yl]propane-1-sulfonic acid
CID 72596277
1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine
CID 142996245
4-[4-[2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethenyl]-2H-pyridin-1-yl]butane-1-sulfonic acid
CID 90937590
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
3-[N-methyl-4-[(E)-2-(1-methyl-2,3-dihydropyridin-1-ium-4-yl)ethenyl]anilino]propyl 2-[[2-[3-[N-methyl-4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]anilino]propoxy]-2-oxoethyl]disulfanyl]acetate
CID 129060568
N-benzyl-N-[4-[4-[N-benzyl-4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]anilino]butyldisulfanyl]butyl]-4-[(E)-2-(1-ethyl-2H-pyridin-4-yl)ethenyl]aniline
CID 90435748

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline?
The IUPAC name of 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline (CID 141046807) is 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline.
What is the SMILES notation for 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline?
The canonical SMILES for 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline is CCCN(CCC)c1ccc(/C=C/C2=CCN(C)C=C2)cc1.
What is the InChIKey of 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline?
The InChIKey is ITWWKPBUPQXTDV-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H28N2/c1-4-14-22(15-5-2)20-10-8-18(9-11-20)6-7-19-12-16-21(3)17-13-19/h6-13,16H,4-5,14-15,17H2,1-3H3/b7-6+.
What are the key properties of 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline?
4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline has a molecular weight of 296.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-methyl-2H-pyridin-4-yl)ethenyl]-N,N-dipropylaniline is sourced from PubChem (CID 141046807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).