4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol

C12H23NO — CID 127900251

IUPAC4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC2(CC2)C1
InChIInChI=1S/C12H23NO/c1-11(2,14)7-9-13-8-3-4-12(10-13)5-6-12/h14H,3-10H2,1-2H3
InChIKeyGOLHEWFELZIAJR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds3

About 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol

4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol (PubChem CID 127900251) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol
PubChem CID127900251
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC2(CC2)C1
InChIInChI=1S/C12H23NO/c1-11(2,14)7-9-13-8-3-4-12(10-13)5-6-12/h14H,3-10H2,1-2H3
InChIKeyGOLHEWFELZIAJR-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol (CID 127900251) is 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol is CC(C)(O)CCN1CCCC2(CC2)C1.
What is the InChIKey of 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol?
The InChIKey is GOLHEWFELZIAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,14)7-9-13-8-3-4-12(10-13)5-6-12/h14H,3-10H2,1-2H3.
What are the key properties of 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol?
4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 127900251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).