1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine

C13H19N3 — CID 118020776

IUPAC1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine
SMILESCC(N)N1C=CC(C2=CCN(C)C=C2)=CC1
InChIInChI=1S/C13H19N3/c1-11(14)16-9-5-13(6-10-16)12-3-7-15(2)8-4-12/h3-7,9,11H,8,10,14H2,1-2H3
InChIKeyNJNPHFKOSDZGSO-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.43
Rot. Bonds2

About 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine

1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine (PubChem CID 118020776) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine
PubChem CID118020776
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine
SMILESCC(N)N1C=CC(C2=CCN(C)C=C2)=CC1
InChIInChI=1S/C13H19N3/c1-11(14)16-9-5-13(6-10-16)12-3-7-15(2)8-4-12/h3-7,9,11H,8,10,14H2,1-2H3
InChIKeyNJNPHFKOSDZGSO-UHFFFAOYSA-N
XLogP1.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine?
The IUPAC name of 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine (CID 118020776) is 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine.
What is the SMILES notation for 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine?
The canonical SMILES for 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine is CC(N)N1C=CC(C2=CCN(C)C=C2)=CC1.
What is the InChIKey of 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine?
The InChIKey is NJNPHFKOSDZGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-11(14)16-9-5-13(6-10-16)12-3-7-15(2)8-4-12/h3-7,9,11H,8,10,14H2,1-2H3.
What are the key properties of 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine?
1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine has a molecular weight of 217.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-2H-pyridin-4-yl)-2H-pyridin-1-yl]ethanamine is sourced from PubChem (CID 118020776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).