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

C17H27NOS — CID 81398155

IUPAC3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2cccs2)C12CCCCC2
InChIInChI=1S/C17H27NOS/c1-3-19-16-12-15(17(16)9-5-4-6-10-17)18-13(2)14-8-7-11-20-14/h7-8,11,13,15-16,18H,3-6,9-10,12H2,1-2H3/t13-,15?,16?/m0/s1
InChIKeyLVJFZBPRKRKVDY-JEYLPNPQSA-N
MW293.48 g/mol
LogP4.53
Rot. Bonds5

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

3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine (PubChem CID 81398155) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
PubChem CID81398155
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2cccs2)C12CCCCC2
InChIInChI=1S/C17H27NOS/c1-3-19-16-12-15(17(16)9-5-4-6-10-17)18-13(2)14-8-7-11-20-14/h7-8,11,13,15-16,18H,3-6,9-10,12H2,1-2H3/t13-,15?,16?/m0/s1
InChIKeyLVJFZBPRKRKVDY-JEYLPNPQSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865209
3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine
CID 81406128
3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
CID 65167746
N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865194
N-[(1S)-1-(2-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81383561
2,2-dimethyl-3-(2-methylpropoxy)-N-[(1S)-1-thiophen-2-ylethyl]cyclobutan-1-amine
CID 81398534
N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81360005
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65295193
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295481
3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 64852889
6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one
CID 98857219

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine (CID 81398155) is 3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine is CCOC1CC(N[C@@H](C)c2cccs2)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine?
The InChIKey is LVJFZBPRKRKVDY-JEYLPNPQSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-19-16-12-15(17(16)9-5-4-6-10-17)18-13(2)14-8-7-11-20-14/h7-8,11,13,15-16,18H,3-6,9-10,12H2,1-2H3/t13-,15?,16?/m0/s1.
What are the key properties of 3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine?
3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 81398155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).