3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine

C17H27NOS — CID 65167746

IUPAC3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCc2cccs2)C12CCCCC2
InChIInChI=1S/C17H27NOS/c1-2-19-16-13-15(17(16)9-4-3-5-10-17)18-11-8-14-7-6-12-20-14/h6-7,12,15-16,18H,2-5,8-11,13H2,1H3
InChIKeyGJIVVQPJZHMEDW-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.01
Rot. Bonds6

About 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine (PubChem CID 65167746) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
PubChem CID65167746
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCc2cccs2)C12CCCCC2
InChIInChI=1S/C17H27NOS/c1-2-19-16-13-15(17(16)9-4-3-5-10-17)18-11-8-14-7-6-12-20-14/h6-7,12,15-16,18H,2-5,8-11,13H2,1H3
InChIKeyGJIVVQPJZHMEDW-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351117
N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351553
N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine
CID 66350237
3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
CID 81398155
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167891
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111756591
1-[(1S,3R,4R)-3-ethoxy-5-oxaspiro[3.4]octan-1-yl]-3-(2-thiophen-2-ylethyl)urea
CID 125137683
3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]spiro[3.4]octan-1-amine
CID 106395151
3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine
CID 80685329
3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine
CID 75516201
3-ethoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]spiro[3.3]heptan-1-amine
CID 106396417

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine (CID 65167746) is 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine is CCOC1CC(NCCc2cccs2)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine?
The InChIKey is GJIVVQPJZHMEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-19-16-13-15(17(16)9-4-3-5-10-17)18-11-8-14-7-6-12-20-14/h6-7,12,15-16,18H,2-5,8-11,13H2,1H3.
What are the key properties of 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65167746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).