2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

C21H36N2OS — CID 118662417

IUPAC2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCOC(C)(C)CCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C21H36N2OS/c1-19(2,24-5)12-14-23-15-13-20(17-23)8-10-21(11-9-20,22(3)4)18-7-6-16-25-18/h6-7,16H,8-15,17H2,1-5H3
InChIKeyOMOJVHYMJYHQRZ-UHFFFAOYSA-N
MW364.60 g/mol
LogP4.59
Rot. Bonds6

About 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118662417) has the molecular formula C21H36N2OS and a molecular weight of 364.60 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
PubChem CID118662417
Molecular FormulaC21H36N2OS
Molecular Weight364.60 g/mol
Exact Mass364.25
IUPAC Name2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCOC(C)(C)CCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1
InChIInChI=1S/C21H36N2OS/c1-19(2,24-5)12-14-23-15-13-20(17-23)8-10-21(11-9-20,22(3)4)18-7-6-16-25-18/h6-7,16H,8-15,17H2,1-5H3
InChIKeyOMOJVHYMJYHQRZ-UHFFFAOYSA-N
XLogP4.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.60
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine with MolForge

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Launch Full Analysis

Related Compounds

[3-(Cyclopentylmethyl)-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl]-dimethylamine
CID 118662074
8-(Dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662342
(3-Butyl-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl)-dimethylamine
CID 118662291
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
(3S)-1-[(5-cyclohexylthiophen-2-yl)methyl]-3-methoxypyrrolidine
CID 99940469
2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662057
1-[8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-azaspiro[4.5]decan-3-yl]-3-methoxy-3-methylbutan-1-one
CID 118662289
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
Tert-butyl 9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecane-3-carboxylate
CID 59311813

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (CID 118662417) is 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is COC(C)(C)CCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is OMOJVHYMJYHQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2OS/c1-19(2,24-5)12-14-23-15-13-20(17-23)8-10-21(11-9-20,22(3)4)18-7-6-16-25-18/h6-7,16H,8-15,17H2,1-5H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 364.60 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118662417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).