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

C16H31NO2 — CID 65169229

IUPAC3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine
SMILESCCOCC(C)NC1CC(OCC)C12CCCCC2
InChIInChI=1S/C16H31NO2/c1-4-18-12-13(3)17-14-11-15(19-5-2)16(14)9-7-6-8-10-16/h13-15,17H,4-12H2,1-3H3
InChIKeyGAOVKXJZEAPQLL-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds7

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

3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine (PubChem CID 65169229) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine
PubChem CID65169229
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine
SMILESCCOCC(C)NC1CC(OCC)C12CCCCC2
InChIInChI=1S/C16H31NO2/c1-4-18-12-13(3)17-14-11-15(19-5-2)16(14)9-7-6-8-10-16/h13-15,17H,4-12H2,1-3H3
InChIKeyGAOVKXJZEAPQLL-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
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-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine (CID 65169229) is 3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine is CCOCC(C)NC1CC(OCC)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine?
The InChIKey is GAOVKXJZEAPQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-18-12-13(3)17-14-11-15(19-5-2)16(14)9-7-6-8-10-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).