6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane

C11H21NO — CID 117704665

IUPAC6-(3,3-dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)(C)CCN1CC2(C1)COC2
InChIInChI=1S/C11H21NO/c1-10(2,3)4-5-12-6-11(7-12)8-13-9-11/h4-9H2,1-3H3
InChIKeyRTEKUTSGWNZKMM-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds3

About 6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane

6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 117704665) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-(3,3-dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID117704665
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-(3,3-dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)(C)CCN1CC2(C1)COC2
InChIInChI=1S/C11H21NO/c1-10(2,3)4-5-12-6-11(7-12)8-13-9-11/h4-9H2,1-3H3
InChIKeyRTEKUTSGWNZKMM-UHFFFAOYSA-N
XLogP1.90
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity183

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane (CID 117704665) is 6-(3,3-dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane is CC(C)(C)CCN1CC2(C1)COC2.
What is the InChIKey of 6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is RTEKUTSGWNZKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)4-5-12-6-11(7-12)8-13-9-11/h4-9H2,1-3H3.
What are the key properties of 6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane?
6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 183.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-Dimethylbutyl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 117704665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).