2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

C20H32N2S — CID 118662000

IUPAC2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCNC1(c2cccs2)CCC2(CCN(CCC3CCC3)C2)CC1
InChIInChI=1S/C20H32N2S/c1-21-20(18-6-3-15-23-18)10-8-19(9-11-20)12-14-22(16-19)13-7-17-4-2-5-17/h3,6,15,17,21H,2,4-5,7-14,16H2,1H3
InChIKeyAIUKDXPEHDXLGB-UHFFFAOYSA-N
MW332.56 g/mol
LogP4.62
Rot. Bonds5

About 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118662000) has the molecular formula C20H32N2S and a molecular weight of 332.56 g/mol. Its IUPAC name is 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
PubChem CID118662000
Molecular FormulaC20H32N2S
Molecular Weight332.56 g/mol
Exact Mass332.23
IUPAC Name2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCNC1(c2cccs2)CCC2(CCN(CCC3CCC3)C2)CC1
InChIInChI=1S/C20H32N2S/c1-21-20(18-6-3-15-23-18)10-8-19(9-11-20)12-14-22(16-19)13-7-17-4-2-5-17/h3,6,15,17,21H,2,4-5,7-14,16H2,1H3
InChIKeyAIUKDXPEHDXLGB-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (CID 118662000) is 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is CNC1(c2cccs2)CCC2(CCN(CCC3CCC3)C2)CC1.
What is the InChIKey of 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is AIUKDXPEHDXLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2S/c1-21-20(18-6-3-15-23-18)10-8-19(9-11-20)12-14-22(16-19)13-7-17-4-2-5-17/h3,6,15,17,21H,2,4-5,7-14,16H2,1H3.
What are the key properties of 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 332.56 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118662000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).