1-oxaspiro[4.4]nonan-4-amine

C8H15NO — CID 105428279

IUPAC1-oxaspiro[4.4]nonan-4-amine
SMILESNC1CCOC12CCCC2
InChIInChI=1S/C8H15NO/c9-7-3-6-10-8(7)4-1-2-5-8/h7H,1-6,9H2
InChIKeyWQUXLLOXLHVXLX-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.05
Rot. Bonds

About 1-oxaspiro[4.4]nonan-4-amine

1-oxaspiro[4.4]nonan-4-amine (PubChem CID 105428279) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-oxaspiro[4.4]nonan-4-amine.

Molecular Properties

Compound Name1-oxaspiro[4.4]nonan-4-amine
PubChem CID105428279
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-oxaspiro[4.4]nonan-4-amine
SMILESNC1CCOC12CCCC2
InChIInChI=1S/C8H15NO/c9-7-3-6-10-8(7)4-1-2-5-8/h7H,1-6,9H2
InChIKeyWQUXLLOXLHVXLX-UHFFFAOYSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]nonan-4-amine?
The IUPAC name of 1-oxaspiro[4.4]nonan-4-amine (CID 105428279) is 1-oxaspiro[4.4]nonan-4-amine.
What is the SMILES notation for 1-oxaspiro[4.4]nonan-4-amine?
The canonical SMILES for 1-oxaspiro[4.4]nonan-4-amine is NC1CCOC12CCCC2.
What is the InChIKey of 1-oxaspiro[4.4]nonan-4-amine?
The InChIKey is WQUXLLOXLHVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-7-3-6-10-8(7)4-1-2-5-8/h7H,1-6,9H2.
What are the key properties of 1-oxaspiro[4.4]nonan-4-amine?
1-oxaspiro[4.4]nonan-4-amine has a molecular weight of 141.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]nonan-4-amine is sourced from PubChem (CID 105428279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).