1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine

C17H27NO2S — CID 105170350

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H27NO2S/c1-18-16(6-2-4-15-5-3-11-21-15)14-7-9-20-17(12-14)8-10-19-13-17/h3,5,11,14,16,18H,2,4,6-10,12-13H2,1H3
InChIKeySRPKRYYGRUGUEG-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.24
Rot. Bonds6

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105170350) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105170350
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H27NO2S/c1-18-16(6-2-4-15-5-3-11-21-15)14-7-9-20-17(12-14)8-10-19-13-17/h3,5,11,14,16,18H,2,4,6-10,12-13H2,1H3
InChIKeySRPKRYYGRUGUEG-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105170315
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737
1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105154540
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105170846
1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 114216221
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
CID 116660522
N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105170350) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is SRPKRYYGRUGUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-18-16(6-2-4-15-5-3-11-21-15)14-7-9-20-17(12-14)8-10-19-13-17/h3,5,11,14,16,18H,2,4,6-10,12-13H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105170350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).