2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

C19H32N2S — CID 118662291

IUPAC2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C19H32N2S/c1-4-5-13-21-14-12-18(16-21)8-10-19(11-9-18,20(2)3)17-7-6-15-22-17/h6-7,15H,4-5,8-14,16H2,1-3H3
InChIKeyJZDAXBWFVCWENT-UHFFFAOYSA-N
MW320.55 g/mol
LogP4.57
Rot. Bonds5

About 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118662291) has the molecular formula C19H32N2S and a molecular weight of 320.55 g/mol. Its IUPAC name is 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
PubChem CID118662291
Molecular FormulaC19H32N2S
Molecular Weight320.55 g/mol
Exact Mass320.23
IUPAC Name2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C19H32N2S/c1-4-5-13-21-14-12-18(16-21)8-10-19(11-9-18,20(2)3)17-7-6-15-22-17/h6-7,15H,4-5,8-14,16H2,1-3H3
InChIKeyJZDAXBWFVCWENT-UHFFFAOYSA-N
XLogP4.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tenocyclidine
CID 62751
Gacyclidine
CID 176265
1-(1-(2-Thienyl)cyclohexyl)pyrrolidine
CID 62764
[3-(Cyclopentylmethyl)-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl]-dimethylamine
CID 118662074
1,2,3,6-Tetrahydro-1-[1-(2-thienyl)cyclohexyl]pyridine
CID 399892
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-N,1-N,4-N,4-N-tetramethyl-1-phenyl-4-thiophen-2-ylcyclohexane-1,4-diamine
CID 44252539
1-[1-(2-Thienyl)-2-methylcyclohexyl]piperidine
CID 9816725
Piperidinium, 1-methyl-1-(1-(2-thienyl)cyclohexyl)-
CID 203372
Piperazine, 4-methyl-1-(1-(2-thienyl)cyclohexyl)-, hydrochloride
CID 210730
Piperazinium, 1,1-dimethyl-4-(1-(2-thienyl)cyclohexyl)-, iodide
CID 3057403

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (CID 118662291) is 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is CCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1.
What is the InChIKey of 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is JZDAXBWFVCWENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2S/c1-4-5-13-21-14-12-18(16-21)8-10-19(11-9-18,20(2)3)17-7-6-15-22-17/h6-7,15H,4-5,8-14,16H2,1-3H3.
What are the key properties of 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 320.55 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118662291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).