2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine

C27H36N2O2 — CID 163995946

IUPAC2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine
SMILESCOCC1(NCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)Cc2ccccc2C1
InChIInChI=1S/C27H36N2O2/c1-30-21-26(18-22-8-2-3-9-23(22)19-26)29-16-13-25(24-10-4-7-15-28-24)14-17-31-27(20-25)11-5-6-12-27/h2-4,7-10,15,29H,5-6,11-14,16-21H2,1H3/t25-/m1/s1
InChIKeyUERXFDFRNZQYBJ-RUZDIDTESA-N
MW420.60 g/mol
LogP4.61
Rot. Bonds7

About 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine

2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine (PubChem CID 163995946) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine
PubChem CID163995946
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine
SMILESCOCC1(NCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)Cc2ccccc2C1
InChIInChI=1S/C27H36N2O2/c1-30-21-26(18-22-8-2-3-9-23(22)19-26)29-16-13-25(24-10-4-7-15-28-24)14-17-31-27(20-25)11-5-6-12-27/h2-4,7-10,15,29H,5-6,11-14,16-21H2,1H3/t25-/m1/s1
InChIKeyUERXFDFRNZQYBJ-RUZDIDTESA-N
XLogP4.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine (CID 163995946) is 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine is COCC1(NCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)Cc2ccccc2C1.
What is the InChIKey of 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine?
The InChIKey is UERXFDFRNZQYBJ-RUZDIDTESA-N. The full InChI is InChI=1S/C27H36N2O2/c1-30-21-26(18-22-8-2-3-9-23(22)19-26)29-16-13-25(24-10-4-7-15-28-24)14-17-31-27(20-25)11-5-6-12-27/h2-4,7-10,15,29H,5-6,11-14,16-21H2,1H3/t25-/m1/s1.
What are the key properties of 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine?
2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine has a molecular weight of 420.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 163995946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).