(4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C26H48N4 — CID 160750603

IUPAC(4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC1CN[C@@H]2CCC[C@H](N3CCCC3)[C@@H]2C1.C1CN[C@H]2CCC[C@@H](N3CCCC3)[C@H]2C1
InChIInChI=1S/2C13H24N2/c2*1-2-10-15(9-1)13-7-3-6-12-11(13)5-4-8-14-12/h2*11-14H,1-10H2/t2*11-,12-,13+/m10/s1
InChIKeyRWTPBPJVGXPLPH-GOSYUTILSA-N
MW416.70 g/mol
LogP4.01
Rot. Bonds2

About (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

(4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 160750603) has the molecular formula C26H48N4 and a molecular weight of 416.70 g/mol. Its IUPAC name is (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name(4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID160750603
Molecular FormulaC26H48N4
Molecular Weight416.70 g/mol
Exact Mass416.39
IUPAC Name(4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC1CN[C@@H]2CCC[C@H](N3CCCC3)[C@@H]2C1.C1CN[C@H]2CCC[C@@H](N3CCCC3)[C@H]2C1
InChIInChI=1S/2C13H24N2/c2*1-2-10-15(9-1)13-7-3-6-12-11(13)5-4-8-14-12/h2*11-14H,1-10H2/t2*11-,12-,13+/m10/s1
InChIKeyRWTPBPJVGXPLPH-GOSYUTILSA-N
XLogP4.01
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.70
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline with MolForge

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Related Compounds

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(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
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1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
CID 19890892
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CID 84741184
3-piperidin-1-ylpiperidine-2-carboxylic acid
CID 83835245
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CID 63256346

Frequently Asked Questions

What is the IUPAC name of (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 160750603) is (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is C1CN[C@@H]2CCC[C@H](N3CCCC3)[C@@H]2C1.C1CN[C@H]2CCC[C@@H](N3CCCC3)[C@H]2C1.
What is the InChIKey of (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is RWTPBPJVGXPLPH-GOSYUTILSA-N. The full InChI is InChI=1S/2C13H24N2/c2*1-2-10-15(9-1)13-7-3-6-12-11(13)5-4-8-14-12/h2*11-14H,1-10H2/t2*11-,12-,13+/m10/s1.
What are the key properties of (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
(4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 416.70 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 160750603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).