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

C15H16N2 — CID 5376425

IUPACN,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccccn2)cc1
InChIInChI=1S/C15H16N2/c1-17(2)15-10-7-13(8-11-15)6-9-14-5-3-4-12-16-14/h3-12H,1-2H3/b9-6+
InChIKeyBKJUFUDGHOBEFF-RMKNXTFCSA-N
MW224.31 g/mol
LogP3.32
Rot. Bonds3

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

N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline (PubChem CID 5376425) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline
PubChem CID5376425
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccccn2)cc1
InChIInChI=1S/C15H16N2/c1-17(2)15-10-7-13(8-11-15)6-9-14-5-3-4-12-16-14/h3-12H,1-2H3/b9-6+
InChIKeyBKJUFUDGHOBEFF-RMKNXTFCSA-N
XLogP3.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.32
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-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline (CID 5376425) is N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline is CN(C)c1ccc(/C=C/c2ccccn2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline?
The InChIKey is BKJUFUDGHOBEFF-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H16N2/c1-17(2)15-10-7-13(8-11-15)6-9-14-5-3-4-12-16-14/h3-12H,1-2H3/b9-6+.
What are the key properties of N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline?
N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline has a molecular weight of 224.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]aniline is sourced from PubChem (CID 5376425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).