6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane

C8H15NO — CID 58464450

IUPAC6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)N1CC2(COC2)C1
InChIInChI=1S/C8H15NO/c1-7(2)9-3-8(4-9)5-10-6-8/h7H,3-6H2,1-2H3
InChIKeyYOUSXYBWLLHEPM-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.73
Rot. Bonds1

About 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane

6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 58464450) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID58464450
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)N1CC2(COC2)C1
InChIInChI=1S/C8H15NO/c1-7(2)9-3-8(4-9)5-10-6-8/h7H,3-6H2,1-2H3
InChIKeyYOUSXYBWLLHEPM-UHFFFAOYSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane (CID 58464450) is 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane is CC(C)N1CC2(COC2)C1.
What is the InChIKey of 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is YOUSXYBWLLHEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)9-3-8(4-9)5-10-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 58464450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).