2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

C20H32N2S — CID 118662052

IUPAC2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccs2)CCC2(CCN(CC3CCC3)C2)CC1
InChIInChI=1S/C20H32N2S/c1-21(2)20(18-7-4-14-23-18)10-8-19(9-11-20)12-13-22(16-19)15-17-5-3-6-17/h4,7,14,17H,3,5-6,8-13,15-16H2,1-2H3
InChIKeyKYFRUCFRGYQRSP-UHFFFAOYSA-N
MW332.56 g/mol
LogP4.57
Rot. Bonds4

About 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118662052) has the molecular formula C20H32N2S and a molecular weight of 332.56 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
PubChem CID118662052
Molecular FormulaC20H32N2S
Molecular Weight332.56 g/mol
Exact Mass332.23
IUPAC Name2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccs2)CCC2(CCN(CC3CCC3)C2)CC1
InChIInChI=1S/C20H32N2S/c1-21(2)20(18-7-4-14-23-18)10-8-19(9-11-20)12-13-22(16-19)15-17-5-3-6-17/h4,7,14,17H,3,5-6,8-13,15-16H2,1-2H3
InChIKeyKYFRUCFRGYQRSP-UHFFFAOYSA-N
XLogP4.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-(2-Thienyl)cyclohexyl)pyrrolidine
CID 62764
[3-(Cyclopentylmethyl)-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl]-dimethylamine
CID 118662074
(3-Butyl-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl)-dimethylamine
CID 118662291
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-dimethyl-[(4-thiophen-3-ylphenyl)methyl]azanium iodide
CID 71452310
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methylbutan-1-one
CID 155536757
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 155537352
1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methyl-N-[(4-thiophen-3-ylphenyl)methyl]methanamine
CID 71462998
(3S)-7-methyl-N-(thiophen-2-ylmethyl)spiro[3.5]nonan-3-amine
CID 156602660
2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662057
8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662163
2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
CID 118666465
1-[4-((18F)fluoromethyl)-1-thiophen-2-ylcyclohexyl]piperidine
CID 451003

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (CID 118662052) is 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is CN(C)C1(c2cccs2)CCC2(CCN(CC3CCC3)C2)CC1.
What is the InChIKey of 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is KYFRUCFRGYQRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2S/c1-21(2)20(18-7-4-14-23-18)10-8-19(9-11-20)12-13-22(16-19)15-17-5-3-6-17/h4,7,14,17H,3,5-6,8-13,15-16H2,1-2H3.
What are the key properties of 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 332.56 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118662052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).