N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline

C22H30N2 — CID 71341716

IUPACN-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
SMILESCCCCCCCCN(C)c1ccc(C=Cc2ccncc2)cc1
InChIInChI=1S/C22H30N2/c1-3-4-5-6-7-8-19-24(2)22-13-11-20(12-14-22)9-10-21-15-17-23-18-16-21/h9-18H,3-8,19H2,1-2H3
InChIKeyMEGWWMRAIVDBFD-UHFFFAOYSA-N
MW322.50 g/mol
LogP6.05
Rot. Bonds10

About N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline

N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline (PubChem CID 71341716) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline.

Molecular Properties

Compound NameN-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
PubChem CID71341716
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
SMILESCCCCCCCCN(C)c1ccc(C=Cc2ccncc2)cc1
InChIInChI=1S/C22H30N2/c1-3-4-5-6-7-8-19-24(2)22-13-11-20(12-14-22)9-10-21-15-17-23-18-16-21/h9-18H,3-8,19H2,1-2H3
InChIKeyMEGWWMRAIVDBFD-UHFFFAOYSA-N
XLogP6.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline
CID 59094293
N-methyl-4-[2-[1-[5-[4-[2-[4-[methyl(octadecyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]ethenyl]-N-octadecylaniline
CID 91006183
4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methyl-N-octadecylaniline
CID 177463261
N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
CID 67935384
N-dodecyl-N-methylaniline;pyridine
CID 22157792
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080
N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205359
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-heptyl-N-methylaniline
CID 54015540
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
N-methyl-4-[(E)-2-(3-methyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]-N-pentadecylaniline
CID 177465599

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline?
The IUPAC name of N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline (CID 71341716) is N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline.
What is the SMILES notation for N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline?
The canonical SMILES for N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline is CCCCCCCCN(C)c1ccc(C=Cc2ccncc2)cc1.
What is the InChIKey of N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline?
The InChIKey is MEGWWMRAIVDBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-3-4-5-6-7-8-19-24(2)22-13-11-20(12-14-22)9-10-21-15-17-23-18-16-21/h9-18H,3-8,19H2,1-2H3.
What are the key properties of N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline?
N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline has a molecular weight of 322.50 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline is sourced from PubChem (CID 71341716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).