3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine

C17H31NO2 — CID 65167887

IUPAC3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC2CCCCO2)C12CCCCC2
InChIInChI=1S/C17H31NO2/c1-2-19-16-12-15(17(16)9-5-3-6-10-17)18-13-14-8-4-7-11-20-14/h14-16,18H,2-13H2,1H3
InChIKeyOXGNKGYMHQLBLN-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.27
Rot. Bonds5

About 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine (PubChem CID 65167887) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine
PubChem CID65167887
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC2CCCCO2)C12CCCCC2
InChIInChI=1S/C17H31NO2/c1-2-19-16-12-15(17(16)9-5-3-6-10-17)18-13-14-8-4-7-11-20-14/h14-16,18H,2-13H2,1H3
InChIKeyOXGNKGYMHQLBLN-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine (CID 65167887) is 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine is CCOC1CC(NCC2CCCCO2)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine?
The InChIKey is OXGNKGYMHQLBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-19-16-12-15(17(16)9-5-3-6-10-17)18-13-14-8-4-7-11-20-14/h14-16,18H,2-13H2,1H3.
What are the key properties of 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65167887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).