2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine

C26H34N2O2 — CID 155054282

IUPAC2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESc1ccc([C@]2(CCNCc3cccc4c3CCCC4)CCO[C@]3(CCOC3)C2)nc1
InChIInChI=1S/C26H34N2O2/c1-2-9-23-21(6-1)7-5-8-22(23)18-27-15-11-25(24-10-3-4-14-28-24)12-17-30-26(19-25)13-16-29-20-26/h3-5,7-8,10,14,27H,1-2,6,9,11-13,15-20H2/t25-,26-/m1/s1
InChIKeyZUBQSQNCRUEAAK-CLJLJLNGSA-N
MW406.57 g/mol
LogP4.35
Rot. Bonds6

About 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine

2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine (PubChem CID 155054282) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine
PubChem CID155054282
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESc1ccc([C@]2(CCNCc3cccc4c3CCCC4)CCO[C@]3(CCOC3)C2)nc1
InChIInChI=1S/C26H34N2O2/c1-2-9-23-21(6-1)7-5-8-22(23)18-27-15-11-25(24-10-3-4-14-28-24)12-17-30-26(19-25)13-16-29-20-26/h3-5,7-8,10,14,27H,1-2,6,9,11-13,15-20H2/t25-,26-/m1/s1
InChIKeyZUBQSQNCRUEAAK-CLJLJLNGSA-N
XLogP4.35
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine with MolForge

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Related Compounds

(R)-N-((5-Fluoropyridin-3-yl)methyl)-2-(9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 72695064
MOR agonist-1
CID 153027560
N-(pyridin-3-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314236
(R)-N-(Naphthalen-2-ylmethyl)-2-(9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 68314562
N-benzyl-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 72712153
N-(cyclopentylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72712592
N-benzyl-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72713191
N-benzyl-2-[(9S)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72713193
US11124523, Example (+)-28b
CID 147489994
US11124523, Example (+)-22
CID 148173955
US11124523, Example (+)-26
CID 148630676
US11124523, Example (+)-23
CID 153079202

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine (CID 155054282) is 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine is c1ccc([C@]2(CCNCc3cccc4c3CCCC4)CCO[C@]3(CCOC3)C2)nc1.
What is the InChIKey of 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The InChIKey is ZUBQSQNCRUEAAK-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-2-9-23-21(6-1)7-5-8-22(23)18-27-15-11-25(24-10-3-4-14-28-24)12-17-30-26(19-25)13-16-29-20-26/h3-5,7-8,10,14,27H,1-2,6,9,11-13,15-20H2/t25-,26-/m1/s1.
What are the key properties of 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine?
2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine has a molecular weight of 406.57 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,9R)-9-pyridin-2-yl-2,6-dioxaspiro[4.5]decan-9-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 155054282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).