N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline

C17H20N2 — CID 6038371

IUPACN,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C17H20N2/c1-3-19(4-2)17-9-7-15(8-10-17)5-6-16-11-13-18-14-12-16/h5-14H,3-4H2,1-2H3/b6-5+
InChIKeyZHORASYCHBCYLU-AATRIKPKSA-N
MW252.36 g/mol
LogP4.10
Rot. Bonds5

About N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline

N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline (PubChem CID 6038371) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline
PubChem CID6038371
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C17H20N2/c1-3-19(4-2)17-9-7-15(8-10-17)5-6-16-11-13-18-14-12-16/h5-14H,3-4H2,1-2H3/b6-5+
InChIKeyZHORASYCHBCYLU-AATRIKPKSA-N
XLogP4.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline (CID 6038371) is N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline is CCN(CC)c1ccc(/C=C/c2ccncc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline?
The InChIKey is ZHORASYCHBCYLU-AATRIKPKSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-19(4-2)17-9-7-15(8-10-17)5-6-16-11-13-18-14-12-16/h5-14H,3-4H2,1-2H3/b6-5+.
What are the key properties of N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline?
N,N-diethyl-4-[(E)-2-pyridin-4-ylethenyl]aniline has a molecular weight of 252.36 g/mol, XLogP of 4.10, 5 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)-2-pyridin-4-ylethenyl]aniline is sourced from PubChem (CID 6038371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).