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

C17H24N2 — CID 81214611

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1N1CCCC3CCCC31)CCCN2
InChIInChI=1S/C17H24N2/c1-4-13-6-3-11-19(17(13)7-1)15-8-9-16-14(12-15)5-2-10-18-16/h8-9,12-13,17-18H,1-7,10-11H2
InChIKeyJKLOSSRRTWRMCU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.81
Rot. Bonds1

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

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81214611) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81214611
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1N1CCCC3CCCC31)CCCN2
InChIInChI=1S/C17H24N2/c1-4-13-6-3-11-19(17(13)7-1)15-8-9-16-14(12-15)5-2-10-18-16/h8-9,12-13,17-18H,1-7,10-11H2
InChIKeyJKLOSSRRTWRMCU-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 81218555
4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 81218135
6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline
CID 97030516
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214682
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 81197078
4-(1,2,3,4-tetrahydroquinolin-7-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 81214589
(4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726902
7-piperazin-1-yl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 83853200
2,5-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81214490
6-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 23004951
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81214611) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline is c1cc2c(cc1N1CCCC3CCCC31)CCCN2.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is JKLOSSRRTWRMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-13-6-3-11-19(17(13)7-1)15-8-9-16-14(12-15)5-2-10-18-16/h8-9,12-13,17-18H,1-7,10-11H2.
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 256.39 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 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)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81214611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).