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

C17H24N2 — CID 81214682

IUPAC5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(N3CCCC4CCCC43)c1)CCCN2
InChIInChI=1S/C17H24N2/c1-5-13-6-4-12-19(16(13)9-1)17-10-2-8-15-14(17)7-3-11-18-15/h2,8,10,13,16,18H,1,3-7,9,11-12H2
InChIKeyFTWBAHJVOUXMJD-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.81
Rot. Bonds1

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

5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81214682) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81214682
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(N3CCCC4CCCC43)c1)CCCN2
InChIInChI=1S/C17H24N2/c1-5-13-6-4-12-19(16(13)9-1)17-10-2-8-15-14(17)7-3-11-18-15/h2,8,10,13,16,18H,1,3-7,9,11-12H2
InChIKeyFTWBAHJVOUXMJD-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 5-(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

5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82749910
4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 81218136
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214611
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 81214470
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide
CID 24705308
5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215404
5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 102965800
3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione
CID 103500228
2,6-dimethyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)morpholine
CID 81215266
4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline
CID 167829524
1-[2-(chloromethyl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320115

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81214682) is 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(N3CCCC4CCCC43)c1)CCCN2.
What is the InChIKey of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is FTWBAHJVOUXMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-5-13-6-4-12-19(16(13)9-1)17-10-2-8-15-14(17)7-3-11-18-15/h2,8,10,13,16,18H,1,3-7,9,11-12H2.
What are the key properties of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline?
5-(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 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81214682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).