3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine

C15H29NO2 — CID 65170115

IUPAC3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC(C)COC)C12CCCCC2
InChIInChI=1S/C15H29NO2/c1-4-18-14-10-13(16-12(2)11-17-3)15(14)8-6-5-7-9-15/h12-14,16H,4-11H2,1-3H3
InChIKeyXBJOURLRVWUZLI-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds6

About 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine (PubChem CID 65170115) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
PubChem CID65170115
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC(C)COC)C12CCCCC2
InChIInChI=1S/C15H29NO2/c1-4-18-14-10-13(16-12(2)11-17-3)15(14)8-6-5-7-9-15/h12-14,16H,4-11H2,1-3H3
InChIKeyXBJOURLRVWUZLI-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine (CID 65170115) is 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine is CCOC1CC(NC(C)COC)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine?
The InChIKey is XBJOURLRVWUZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-18-14-10-13(16-12(2)11-17-3)15(14)8-6-5-7-9-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 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[3.5]nonan-1-amine is sourced from PubChem (CID 65170115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).