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

C17H20N2 — CID 59094293

IUPACN-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline
SMILESCCCN(C)c1ccc(C=Cc2ccncc2)cc1
InChIInChI=1S/C17H20N2/c1-3-14-19(2)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16/h4-13H,3,14H2,1-2H3
InChIKeyFOQAAYIDKUCDOG-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.10
Rot. Bonds5

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

N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline (PubChem CID 59094293) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline.

Molecular Properties

Compound NameN-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline
PubChem CID59094293
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline
SMILESCCCN(C)c1ccc(C=Cc2ccncc2)cc1
InChIInChI=1S/C17H20N2/c1-3-14-19(2)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16/h4-13H,3,14H2,1-2H3
InChIKeyFOQAAYIDKUCDOG-UHFFFAOYSA-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-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline?
The IUPAC name of N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline (CID 59094293) is N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline.
What is the SMILES notation for N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline?
The canonical SMILES for N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline is CCCN(C)c1ccc(C=Cc2ccncc2)cc1.
What is the InChIKey of N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline?
The InChIKey is FOQAAYIDKUCDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-14-19(2)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16/h4-13H,3,14H2,1-2H3.
What are the key properties of N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline?
N-methyl-N-propyl-4-(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-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline is sourced from PubChem (CID 59094293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).