3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine

C16H25NO2 — CID 65295193

IUPAC3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(C)o2)C12CCC2
InChIInChI=1S/C16H25NO2/c1-4-18-15-10-14(16(15)8-5-9-16)17-12(3)13-7-6-11(2)19-13/h6-7,12,14-15,17H,4-5,8-10H2,1-3H3
InChIKeyFXKDTHTUCLSOTA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.59
Rot. Bonds5

About 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine (PubChem CID 65295193) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine
PubChem CID65295193
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(C)o2)C12CCC2
InChIInChI=1S/C16H25NO2/c1-4-18-15-10-14(16(15)8-5-9-16)17-12(3)13-7-6-11(2)19-13/h6-7,12,14-15,17H,4-5,8-10H2,1-3H3
InChIKeyFXKDTHTUCLSOTA-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine
CID 81406128
N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81360005
3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine
CID 64865229
N-[1-(4-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865209
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295481
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 79231073
(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 129430027
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 119051436
3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine
CID 103271742
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.3]heptan-1-amine
CID 103700293
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine (CID 65295193) is 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine is CCOC1CC(NC(C)c2ccc(C)o2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine?
The InChIKey is FXKDTHTUCLSOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-15-10-14(16(15)8-5-9-16)17-12(3)13-7-6-11(2)19-13/h6-7,12,14-15,17H,4-5,8-10H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).