3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine

C13H25NO2 — CID 65295225

IUPAC3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)COC)C12CCC2
InChIInChI=1S/C13H25NO2/c1-4-16-12-8-11(13(12)6-5-7-13)14-10(2)9-15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyJEPNELYQRHGPRY-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds6

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

3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine (PubChem CID 65295225) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
PubChem CID65295225
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)COC)C12CCC2
InChIInChI=1S/C13H25NO2/c1-4-16-12-8-11(13(12)6-5-7-13)14-10(2)9-15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyJEPNELYQRHGPRY-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
CID 65047702
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
3-ethoxy-N-(1-ethoxy-3-methylbutan-2-yl)spiro[3.3]heptan-1-amine
CID 103271742
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 115723734
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
CID 104980931
N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865425
3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine
CID 113352135
N-(1-cyclohexylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294431

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine (CID 65295225) is 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine is CCOC1CC(NC(C)COC)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine?
The InChIKey is JEPNELYQRHGPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-16-12-8-11(13(12)6-5-7-13)14-10(2)9-15-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).