N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine

C17H27NOS — CID 66350237

IUPACN-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine
SMILESCNC1CC(OCCc2cccs2)C12CCCCCC2
InChIInChI=1S/C17H27NOS/c1-18-15-13-16(17(15)9-4-2-3-5-10-17)19-11-8-14-7-6-12-20-14/h6-7,12,15-16,18H,2-5,8-11,13H2,1H3
InChIKeyOJPLXOAPSVVBJZ-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.01
Rot. Bonds5

About N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine

N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine (PubChem CID 66350237) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine
PubChem CID66350237
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine
SMILESCNC1CC(OCCc2cccs2)C12CCCCCC2
InChIInChI=1S/C17H27NOS/c1-18-15-13-16(17(15)9-4-2-3-5-10-17)19-11-8-14-7-6-12-20-14/h6-7,12,15-16,18H,2-5,8-11,13H2,1H3
InChIKeyOJPLXOAPSVVBJZ-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
CID 65167746
N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351553
N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351117
3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351552
3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
CID 81398155
3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359518
3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
CID 66349861
N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine
CID 66359383
3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357764
3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66359025
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111756591

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine?
The IUPAC name of N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine (CID 66350237) is N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine is CNC1CC(OCCc2cccs2)C12CCCCCC2.
What is the InChIKey of N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine?
The InChIKey is OJPLXOAPSVVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-18-15-13-16(17(15)9-4-2-3-5-10-17)19-11-8-14-7-6-12-20-14/h6-7,12,15-16,18H,2-5,8-11,13H2,1H3.
What are the key properties of N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine?
N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66350237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).