6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane

C11H21NO2 — CID 155459534

IUPAC6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCCC(C)OCCN1CC2(COC2)C1
InChIInChI=1S/C11H21NO2/c1-3-10(2)14-5-4-12-6-11(7-12)8-13-9-11/h10H,3-9H2,1-2H3
InChIKeyPEZBMTATJRHAMP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.13
Rot. Bonds5

About 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane

6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 155459534) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID155459534
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCCC(C)OCCN1CC2(COC2)C1
InChIInChI=1S/C11H21NO2/c1-3-10(2)14-5-4-12-6-11(7-12)8-13-9-11/h10H,3-9H2,1-2H3
InChIKeyPEZBMTATJRHAMP-UHFFFAOYSA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane (CID 155459534) is 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane is CCC(C)OCCN1CC2(COC2)C1.
What is the InChIKey of 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is PEZBMTATJRHAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(2)14-5-4-12-6-11(7-12)8-13-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane?
6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 199.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 155459534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).