2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane

C20H30N2O — CID 99928933

IUPAC2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCN(C[C@]3(c4ccccc4)CCOC3)CC2)C1
InChIInChI=1S/C20H30N2O/c1-21-11-7-19(15-21)8-12-22(13-9-19)16-20(10-14-23-17-20)18-5-3-2-4-6-18/h2-6H,7-17H2,1H3/t20-/m1/s1
InChIKeyXWFCJVWEDMVNIY-HXUWFJFHSA-N
MW314.47 g/mol
LogP2.76
Rot. Bonds3

About 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane

2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 99928933) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID99928933
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CCN(C[C@]3(c4ccccc4)CCOC3)CC2)C1
InChIInChI=1S/C20H30N2O/c1-21-11-7-19(15-21)8-12-22(13-9-19)16-20(10-14-23-17-20)18-5-3-2-4-6-18/h2-6H,7-17H2,1H3/t20-/m1/s1
InChIKeyXWFCJVWEDMVNIY-HXUWFJFHSA-N
XLogP2.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane (CID 99928933) is 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane is CN1CCC2(CCN(C[C@]3(c4ccccc4)CCOC3)CC2)C1.
What is the InChIKey of 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is XWFCJVWEDMVNIY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2O/c1-21-11-7-19(15-21)8-12-22(13-9-19)16-20(10-14-23-17-20)18-5-3-2-4-6-18/h2-6H,7-17H2,1H3/t20-/m1/s1.
What are the key properties of 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane?
2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 314.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 99928933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).