2-oxaspiro[3.3]heptan-6-amine

C6H11NO — CID 71303896

IUPAC2-oxaspiro[3.3]heptan-6-amine
SMILESNC1CC2(COC2)C1
InChIInChI=1S/C6H11NO/c7-5-1-6(2-5)3-8-4-6/h5H,1-4,7H2
InChIKeyOUFBLTGDJDQVTA-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.12
Rot. Bonds

About 2-oxaspiro[3.3]heptan-6-amine

2-oxaspiro[3.3]heptan-6-amine (PubChem CID 71303896) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-oxaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Name2-oxaspiro[3.3]heptan-6-amine
PubChem CID71303896
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-oxaspiro[3.3]heptan-6-amine
SMILESNC1CC2(COC2)C1
InChIInChI=1S/C6H11NO/c7-5-1-6(2-5)3-8-4-6/h5H,1-4,7H2
InChIKeyOUFBLTGDJDQVTA-UHFFFAOYSA-N
XLogP0.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[3.3]heptan-6-amine?
The IUPAC name of 2-oxaspiro[3.3]heptan-6-amine (CID 71303896) is 2-oxaspiro[3.3]heptan-6-amine.
What is the SMILES notation for 2-oxaspiro[3.3]heptan-6-amine?
The canonical SMILES for 2-oxaspiro[3.3]heptan-6-amine is NC1CC2(COC2)C1.
What is the InChIKey of 2-oxaspiro[3.3]heptan-6-amine?
The InChIKey is OUFBLTGDJDQVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c7-5-1-6(2-5)3-8-4-6/h5H,1-4,7H2.
What are the key properties of 2-oxaspiro[3.3]heptan-6-amine?
2-oxaspiro[3.3]heptan-6-amine has a molecular weight of 113.16 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 71303896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).