(6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol

C12H23NO — CID 176847675

IUPAC(6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol
SMILESCC(C)(C)N1CC(CO)C2(CCC2)C1
InChIInChI=1S/C12H23NO/c1-11(2,3)13-7-10(8-14)12(9-13)5-4-6-12/h10,14H,4-9H2,1-3H3
InChIKeyINJFMRWSCFCKLR-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds1

About (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol

(6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol (PubChem CID 176847675) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol.

Molecular Properties

Compound Name(6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol
PubChem CID176847675
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol
SMILESCC(C)(C)N1CC(CO)C2(CCC2)C1
InChIInChI=1S/C12H23NO/c1-11(2,3)13-7-10(8-14)12(9-13)5-4-6-12/h10,14H,4-9H2,1-3H3
InChIKeyINJFMRWSCFCKLR-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol?
The IUPAC name of (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol (CID 176847675) is (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol.
What is the SMILES notation for (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol?
The canonical SMILES for (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol is CC(C)(C)N1CC(CO)C2(CCC2)C1.
What is the InChIKey of (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol?
The InChIKey is INJFMRWSCFCKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)13-7-10(8-14)12(9-13)5-4-6-12/h10,14H,4-9H2,1-3H3.
What are the key properties of (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol?
(6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol is sourced from PubChem (CID 176847675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).