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

C16H25NO2 — CID 64865229

IUPAC3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ccc(C)o2)C12CCCC2
InChIInChI=1S/C16H25NO2/c1-3-18-15-10-14(16(15)8-4-5-9-16)17-11-13-7-6-12(2)19-13/h6-7,14-15,17H,3-5,8-11H2,1-2H3
InChIKeyDIMXKSJJJPTWBH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.42
Rot. Bonds5

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

3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine (PubChem CID 64865229) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine
PubChem CID64865229
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ccc(C)o2)C12CCCC2
InChIInChI=1S/C16H25NO2/c1-3-18-15-10-14(16(15)8-4-5-9-16)17-11-13-7-6-12(2)19-13/h6-7,14-15,17H,3-5,8-11H2,1-2H3
InChIKeyDIMXKSJJJPTWBH-UHFFFAOYSA-N
XLogP3.42
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65295193
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252
3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294485
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295569
(1S,3S)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044556
(1S,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044555
(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044557
(1R,3S)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044558
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine (CID 64865229) is 3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine is CCOC1CC(NCc2ccc(C)o2)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine?
The InChIKey is DIMXKSJJJPTWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-15-10-14(16(15)8-4-5-9-16)17-11-13-7-6-12(2)19-13/h6-7,14-15,17H,3-5,8-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 64865229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).