5-tert-butyl-5-azaspiro[2.5]octane

C11H21N — CID 58311640

IUPAC5-tert-butyl-5-azaspiro[2.5]octane
SMILESCC(C)(C)N1CCCC2(CC2)C1
InChIInChI=1S/C11H21N/c1-10(2,3)12-8-4-5-11(9-12)6-7-11/h4-9H2,1-3H3
InChIKeyGMBKIROSGNWYQG-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds

About 5-tert-butyl-5-azaspiro[2.5]octane

5-tert-butyl-5-azaspiro[2.5]octane (PubChem CID 58311640) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-tert-butyl-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-tert-butyl-5-azaspiro[2.5]octane
PubChem CID58311640
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-tert-butyl-5-azaspiro[2.5]octane
SMILESCC(C)(C)N1CCCC2(CC2)C1
InChIInChI=1S/C11H21N/c1-10(2,3)12-8-4-5-11(9-12)6-7-11/h4-9H2,1-3H3
InChIKeyGMBKIROSGNWYQG-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-azaspiro[2.5]octane?
The IUPAC name of 5-tert-butyl-5-azaspiro[2.5]octane (CID 58311640) is 5-tert-butyl-5-azaspiro[2.5]octane.
What is the SMILES notation for 5-tert-butyl-5-azaspiro[2.5]octane?
The canonical SMILES for 5-tert-butyl-5-azaspiro[2.5]octane is CC(C)(C)N1CCCC2(CC2)C1.
What is the InChIKey of 5-tert-butyl-5-azaspiro[2.5]octane?
The InChIKey is GMBKIROSGNWYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)12-8-4-5-11(9-12)6-7-11/h4-9H2,1-3H3.
What are the key properties of 5-tert-butyl-5-azaspiro[2.5]octane?
5-tert-butyl-5-azaspiro[2.5]octane has a molecular weight of 167.30 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-azaspiro[2.5]octane is sourced from PubChem (CID 58311640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).