2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine

C19H31FN2S — CID 118662057

IUPAC2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
SMILESCCCCN1CCC2(CCC(c3ccc(F)s3)(N(C)C)CC2)C1
InChIInChI=1S/C19H31FN2S/c1-4-5-13-22-14-12-18(15-22)8-10-19(11-9-18,21(2)3)16-6-7-17(20)23-16/h6-7H,4-5,8-15H2,1-3H3
InChIKeyHTWYYDRUTWEPGU-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.71
Rot. Bonds5

About 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine

2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118662057) has the molecular formula C19H31FN2S and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
PubChem CID118662057
Molecular FormulaC19H31FN2S
Molecular Weight338.54 g/mol
Exact Mass338.22
IUPAC Name2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
SMILESCCCCN1CCC2(CCC(c3ccc(F)s3)(N(C)C)CC2)C1
InChIInChI=1S/C19H31FN2S/c1-4-5-13-22-14-12-18(15-22)8-10-19(11-9-18,21(2)3)16-6-7-17(20)23-16/h6-7H,4-5,8-15H2,1-3H3
InChIKeyHTWYYDRUTWEPGU-UHFFFAOYSA-N
XLogP4.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.71
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
1-(1-(5-(2'-Fluoroethyl)-2-thienyl)-cyclohexyl)piperidine
CID 192646
(3-Butyl-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl)-dimethylamine
CID 118662291
1-[1-[5-(2-Fluoroethyl)thiophen-2-yl]cyclohexyl]piperidine
CID 46880305
1-[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118662107
8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662163
8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine
CID 118662171
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118662335
Tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate
CID 118665970
2-[(5-fluorothiophen-2-yl)methyl]-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
CID 118666465
1-[(5-butylthiophen-2-yl)methyl]-2-[(E)-4-(4-fluorophenyl)but-1-enyl]-5-methylidenepyrrolidine
CID 142208596

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine (CID 118662057) is 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine is CCCCN1CCC2(CCC(c3ccc(F)s3)(N(C)C)CC2)C1.
What is the InChIKey of 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is HTWYYDRUTWEPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2S/c1-4-5-13-22-14-12-18(15-22)8-10-19(11-9-18,21(2)3)16-6-7-17(20)23-16/h6-7H,4-5,8-15H2,1-3H3.
What are the key properties of 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine?
2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 338.54 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118662057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).