6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane

C9H17NO — CID 58441443

IUPAC6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)(C)N1CC2(COC2)C1
InChIInChI=1S/C9H17NO/c1-8(2,3)10-4-9(5-10)6-11-7-9/h4-7H2,1-3H3
InChIKeyRYAJRJHJTNCBJP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds

About 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane

6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 58441443) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID58441443
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)(C)N1CC2(COC2)C1
InChIInChI=1S/C9H17NO/c1-8(2,3)10-4-9(5-10)6-11-7-9/h4-7H2,1-3H3
InChIKeyRYAJRJHJTNCBJP-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane (CID 58441443) is 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane is CC(C)(C)N1CC2(COC2)C1.
What is the InChIKey of 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is RYAJRJHJTNCBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2,3)10-4-9(5-10)6-11-7-9/h4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane?
6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 155.24 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 58441443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).