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

C18H26N2 — CID 81218555

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(N3CCCC4CCCC43)ccc2N1
InChIInChI=1S/C18H26N2/c1-13-7-8-15-12-16(9-10-17(15)19-13)20-11-3-5-14-4-2-6-18(14)20/h9-10,12-14,18-19H,2-8,11H2,1H3
InChIKeyBGUJILOYHGPRRV-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.20
Rot. Bonds1

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

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 81218555) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID81218555
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(N3CCCC4CCCC43)ccc2N1
InChIInChI=1S/C18H26N2/c1-13-7-8-15-12-16(9-10-17(15)19-13)20-11-3-5-14-4-2-6-18(14)20/h9-10,12-14,18-19H,2-8,11H2,1H3
InChIKeyBGUJILOYHGPRRV-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline (CID 81218555) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-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)-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(N3CCCC4CCCC43)ccc2N1.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is BGUJILOYHGPRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13-7-8-15-12-16(9-10-17(15)19-13)20-11-3-5-14-4-2-6-18(14)20/h9-10,12-14,18-19H,2-8,11H2,1H3.
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 270.42 g/mol, XLogP of 4.20, 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)-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81218555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).