(1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine

C13H17N3 — CID 159782782

IUPAC(1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine
SMILESCN/C(C)=C1\C=CC=NC1C1CC=CC=N1
InChIInChI=1S/C13H17N3/c1-10(14-2)11-6-5-9-16-13(11)12-7-3-4-8-15-12/h3-6,8-9,12-14H,7H2,1-2H3/b11-10+
InChIKeyNHOLYIFIMXMDOW-ZHACJKMWSA-N
MW215.30 g/mol
LogP1.89
Rot. Bonds2

About (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine

(1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine (PubChem CID 159782782) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine.

Molecular Properties

Compound Name(1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine
PubChem CID159782782
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine
SMILESCN/C(C)=C1\C=CC=NC1C1CC=CC=N1
InChIInChI=1S/C13H17N3/c1-10(14-2)11-6-5-9-16-13(11)12-7-3-4-8-15-12/h3-6,8-9,12-14H,7H2,1-2H3/b11-10+
InChIKeyNHOLYIFIMXMDOW-ZHACJKMWSA-N
XLogP1.89
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine?
The IUPAC name of (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine (CID 159782782) is (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine.
What is the SMILES notation for (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine?
The canonical SMILES for (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine is CN/C(C)=C1\C=CC=NC1C1CC=CC=N1.
What is the InChIKey of (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine?
The InChIKey is NHOLYIFIMXMDOW-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(14-2)11-6-5-9-16-13(11)12-7-3-4-8-15-12/h3-6,8-9,12-14H,7H2,1-2H3/b11-10+.
What are the key properties of (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine?
(1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine is sourced from PubChem (CID 159782782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).