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

C14H21N3 — CID 65318914

IUPAC[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1cccc(N2CCCC3CCCC32)n1
InChIInChI=1S/C14H21N3/c15-10-12-6-2-8-14(16-12)17-9-3-5-11-4-1-7-13(11)17/h2,6,8,11,13H,1,3-5,7,9-10,15H2
InChIKeyZRWFOLCRLMYLJR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds2

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

[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine (PubChem CID 65318914) 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)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
PubChem CID65318914
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1cccc(N2CCCC3CCCC32)n1
InChIInChI=1S/C14H21N3/c15-10-12-6-2-8-14(16-12)17-9-3-5-11-4-1-7-13(11)17/h2,6,8,11,13H,1,3-5,7,9-10,15H2
InChIKeyZRWFOLCRLMYLJR-UHFFFAOYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
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)-2-pyridinyl]methanamine?
The IUPAC name of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine (CID 65318914) is [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine is NCc1cccc(N2CCCC3CCCC32)n1.
What is the InChIKey of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is ZRWFOLCRLMYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-10-12-6-2-8-14(16-12)17-9-3-5-11-4-1-7-13(11)17/h2,6,8,11,13H,1,3-5,7,9-10,15H2.
What are the key properties of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine?
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.31, 2 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)-2-pyridinyl]methanamine is sourced from PubChem (CID 65318914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).