N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine

C22H30N2O2 — CID 72712795

IUPACN-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESCc1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)o1
InChIInChI=1S/C22H30N2O2/c1-18-7-8-19(26-18)16-23-14-11-21(20-6-2-5-13-24-20)12-15-25-22(17-21)9-3-4-10-22/h2,5-8,13,23H,3-4,9-12,14-17H2,1H3/t21-/m1/s1
InChIKeyFSOUBXJSRHPTCP-OAQYLSRUSA-N
MW354.49 g/mol
LogP4.52
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine

N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine (PubChem CID 72712795) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
PubChem CID72712795
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESCc1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)o1
InChIInChI=1S/C22H30N2O2/c1-18-7-8-19(26-18)16-23-14-11-21(20-6-2-5-13-24-20)12-15-25-22(17-21)9-3-4-10-22/h2,5-8,13,23H,3-4,9-12,14-17H2,1H3/t21-/m1/s1
InChIKeyFSOUBXJSRHPTCP-OAQYLSRUSA-N
XLogP4.52
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine (CID 72712795) is N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine is Cc1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The InChIKey is FSOUBXJSRHPTCP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18-7-8-19(26-18)16-23-14-11-21(20-6-2-5-13-24-20)12-15-25-22(17-21)9-3-4-10-22/h2,5-8,13,23H,3-4,9-12,14-17H2,1H3/t21-/m1/s1.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine?
N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine has a molecular weight of 354.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine is sourced from PubChem (CID 72712795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).