5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol

C14H25NO2 — CID 136533552

IUPAC5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol
SMILESCC(C)(C)OC1CC(N2CC(O)C3(CC3)C2)C1
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-11-6-10(7-11)15-8-12(16)14(9-15)4-5-14/h10-12,16H,4-9H2,1-3H3
InChIKeySAEOCKUVHNXKJX-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds2

About 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol

5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol (PubChem CID 136533552) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Name5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol
PubChem CID136533552
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol
SMILESCC(C)(C)OC1CC(N2CC(O)C3(CC3)C2)C1
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-11-6-10(7-11)15-8-12(16)14(9-15)4-5-14/h10-12,16H,4-9H2,1-3H3
InChIKeySAEOCKUVHNXKJX-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine
CID 170255743
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 156551085
2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 153320528
1-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567369
3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
CID 170257592
5-ethyl-5-azaspiro[2.4]heptan-7-ol
CID 59200734
1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane
CID 153320481
1-ethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 90210270
5-tert-butyl-5-azaspiro[2.5]octan-8-ol
CID 130291196
5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol
CID 130693734
2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]propan-1-ol
CID 110010925
1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166559632

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol?
The IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol (CID 136533552) is 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol.
What is the SMILES notation for 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol?
The canonical SMILES for 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol is CC(C)(C)OC1CC(N2CC(O)C3(CC3)C2)C1.
What is the InChIKey of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol?
The InChIKey is SAEOCKUVHNXKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)17-11-6-10(7-11)15-8-12(16)14(9-15)4-5-14/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol?
5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 136533552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).