6-oxaspiro[3.4]octan-2-ylmethanamine

C8H15NO — CID 138039663

IUPAC6-oxaspiro[3.4]octan-2-ylmethanamine
SMILESNCC1CC2(CCOC2)C1
InChIInChI=1S/C8H15NO/c9-5-7-3-8(4-7)1-2-10-6-8/h7H,1-6,9H2
InChIKeyHTGCXYZBINTCIH-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds1

About 6-oxaspiro[3.4]octan-2-ylmethanamine

6-oxaspiro[3.4]octan-2-ylmethanamine (PubChem CID 138039663) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-oxaspiro[3.4]octan-2-ylmethanamine.

Molecular Properties

Compound Name6-oxaspiro[3.4]octan-2-ylmethanamine
PubChem CID138039663
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-oxaspiro[3.4]octan-2-ylmethanamine
SMILESNCC1CC2(CCOC2)C1
InChIInChI=1S/C8H15NO/c9-5-7-3-8(4-7)1-2-10-6-8/h7H,1-6,9H2
InChIKeyHTGCXYZBINTCIH-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[3.4]octan-2-ylmethanamine?
The IUPAC name of 6-oxaspiro[3.4]octan-2-ylmethanamine (CID 138039663) is 6-oxaspiro[3.4]octan-2-ylmethanamine.
What is the SMILES notation for 6-oxaspiro[3.4]octan-2-ylmethanamine?
The canonical SMILES for 6-oxaspiro[3.4]octan-2-ylmethanamine is NCC1CC2(CCOC2)C1.
What is the InChIKey of 6-oxaspiro[3.4]octan-2-ylmethanamine?
The InChIKey is HTGCXYZBINTCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-5-7-3-8(4-7)1-2-10-6-8/h7H,1-6,9H2.
What are the key properties of 6-oxaspiro[3.4]octan-2-ylmethanamine?
6-oxaspiro[3.4]octan-2-ylmethanamine has a molecular weight of 141.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[3.4]octan-2-ylmethanamine is sourced from PubChem (CID 138039663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).