3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride

C11H22ClNO — CID 54595453

IUPAC3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride
SMILESCCOC1CC(N)C12CCCCC2.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11;/h9-10H,2-8,12H2,1H3;1H
InChIKeyAHUQOXOZGIWAHI-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.49
Rot. Bonds2

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

3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride (PubChem CID 54595453) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride
PubChem CID54595453
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride
SMILESCCOC1CC(N)C12CCCCC2.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11;/h9-10H,2-8,12H2,1H3;1H
InChIKeyAHUQOXOZGIWAHI-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.49
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;hydrochloride?
The IUPAC name of 3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride (CID 54595453) is 3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride?
The canonical SMILES for 3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride is CCOC1CC(N)C12CCCCC2.Cl.
What is the InChIKey of 3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride?
The InChIKey is AHUQOXOZGIWAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11;/h9-10H,2-8,12H2,1H3;1H.
What are the key properties of 3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride?
3-ethoxyspiro[3.5]nonan-1-amine;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.49, 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;hydrochloride is sourced from PubChem (CID 54595453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).