3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine

C17H27NOS — CID 103702260

IUPAC3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ccc(CC)s2)C12CCCC2
InChIInChI=1S/C17H27NOS/c1-3-13-7-8-14(20-13)12-18-15-11-16(19-4-2)17(15)9-5-6-10-17/h7-8,15-16,18H,3-6,9-12H2,1-2H3
InChIKeyAWVNYRFRIOXZEW-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.14
Rot. Bonds6

About 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine

3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine (PubChem CID 103702260) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine
PubChem CID103702260
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ccc(CC)s2)C12CCCC2
InChIInChI=1S/C17H27NOS/c1-3-13-7-8-14(20-13)12-18-15-11-16(19-4-2)17(15)9-5-6-10-17/h7-8,15-16,18H,3-6,9-12H2,1-2H3
InChIKeyAWVNYRFRIOXZEW-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.3]heptan-1-amine
CID 103700293
3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine
CID 64865229
3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294485
(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 124680812
(1S,3S)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 124680815
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295569
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573
3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
CID 65167746
N-(1,3-benzothiazol-2-ylmethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295134
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine (CID 103702260) is 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine is CCOC1CC(NCc2ccc(CC)s2)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine?
The InChIKey is AWVNYRFRIOXZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-13-7-8-14(20-13)12-18-15-11-16(19-4-2)17(15)9-5-6-10-17/h7-8,15-16,18H,3-6,9-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 103702260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).