6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine

C14H21N3 — CID 79176626

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine
SMILESCc1cc(N2CCCC3CCCC32)ncc1N
InChIInChI=1S/C14H21N3/c1-10-8-14(16-9-12(10)15)17-7-3-5-11-4-2-6-13(11)17/h8-9,11,13H,2-7,15H2,1H3
InChIKeyWBUMSHYBKQOYQJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.74
Rot. Bonds1

About 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine (PubChem CID 79176626) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine
PubChem CID79176626
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine
SMILESCc1cc(N2CCCC3CCCC32)ncc1N
InChIInChI=1S/C14H21N3/c1-10-8-14(16-9-12(10)15)17-7-3-5-11-4-2-6-13(11)17/h8-9,11,13H,2-7,15H2,1H3
InChIKeyWBUMSHYBKQOYQJ-UHFFFAOYSA-N
XLogP2.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine (CID 79176626) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine is Cc1cc(N2CCCC3CCCC32)ncc1N.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine?
The InChIKey is WBUMSHYBKQOYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-8-14(16-9-12(10)15)17-7-3-5-11-4-2-6-13(11)17/h8-9,11,13H,2-7,15H2,1H3.
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 79176626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).