3-ethoxyspiro[3.5]nonan-1-amine

C11H21NO — CID 54595389

IUPAC3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(N)C12CCCCC2
InChIInChI=1S/C11H21NO/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10H,2-8,12H2,1H3
InChIKeyOGVVHXLZVGXJML-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.07
Rot. Bonds2

About 3-ethoxyspiro[3.5]nonan-1-amine

3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 54595389) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID54595389
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(N)C12CCCCC2
InChIInChI=1S/C11H21NO/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10H,2-8,12H2,1H3
InChIKeyOGVVHXLZVGXJML-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxyspiro[3.5]nonan-1-amine (CID 54595389) is 3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(N)C12CCCCC2.
What is the InChIKey of 3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is OGVVHXLZVGXJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10H,2-8,12H2,1H3.
What are the key properties of 3-ethoxyspiro[3.5]nonan-1-amine?
3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 54595389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).