3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine

C13H21N3 — CID 22725187

IUPAC3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine
SMILESNCCCN1CC=CC=C1C1=CCNCC1
InChIInChI=1S/C13H21N3/c14-7-3-11-16-10-2-1-4-13(16)12-5-8-15-9-6-12/h1-2,4-5,15H,3,6-11,14H2
InChIKeyQDCNKPNVGOJNTJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.01
Rot. Bonds4

About 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine

3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine (PubChem CID 22725187) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine
PubChem CID22725187
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine
SMILESNCCCN1CC=CC=C1C1=CCNCC1
InChIInChI=1S/C13H21N3/c14-7-3-11-16-10-2-1-4-13(16)12-5-8-15-9-6-12/h1-2,4-5,15H,3,6-11,14H2
InChIKeyQDCNKPNVGOJNTJ-UHFFFAOYSA-N
XLogP1.01
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine (CID 22725187) is 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine is NCCCN1CC=CC=C1C1=CCNCC1.
What is the InChIKey of 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is QDCNKPNVGOJNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-7-3-11-16-10-2-1-4-13(16)12-5-8-15-9-6-12/h1-2,4-5,15H,3,6-11,14H2.
What are the key properties of 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine?
3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 22725187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).