2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine

C10H15N3 — CID 67424456

IUPAC2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine
SMILESNC1=CNC(C2CC=NCC2)C=C1
InChIInChI=1S/C10H15N3/c11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-2,5,7-8,10,13H,3-4,6,11H2
InChIKeyXJZUPGMAJRTVLF-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.80
Rot. Bonds1

About 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine

2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine (PubChem CID 67424456) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine
PubChem CID67424456
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine
SMILESNC1=CNC(C2CC=NCC2)C=C1
InChIInChI=1S/C10H15N3/c11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-2,5,7-8,10,13H,3-4,6,11H2
InChIKeyXJZUPGMAJRTVLF-UHFFFAOYSA-N
XLogP0.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine?
The IUPAC name of 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine (CID 67424456) is 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine is NC1=CNC(C2CC=NCC2)C=C1.
What is the InChIKey of 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine?
The InChIKey is XJZUPGMAJRTVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-2,5,7-8,10,13H,3-4,6,11H2.
What are the key properties of 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine?
2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine has a molecular weight of 177.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 67424456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).