3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol

C13H25NO2 — CID 106172383

IUPAC3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
SMILESCCC(C)(CCO)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-3-12(2,4-7-15)14-10-13(11-14)5-8-16-9-6-13/h15H,3-11H2,1-2H3
InChIKeySJYBSRNMLZPCQT-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds4

About 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol

3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol (PubChem CID 106172383) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
PubChem CID106172383
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol
SMILESCCC(C)(CCO)N1CC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2/c1-3-12(2,4-7-15)14-10-13(11-14)5-8-16-9-6-13/h15H,3-11H2,1-2H3
InChIKeySJYBSRNMLZPCQT-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
The IUPAC name of 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol (CID 106172383) is 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol is CCC(C)(CCO)N1CC2(CCOCC2)C1.
What is the InChIKey of 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
The InChIKey is SJYBSRNMLZPCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-12(2,4-7-15)14-10-13(11-14)5-8-16-9-6-13/h15H,3-11H2,1-2H3.
What are the key properties of 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol?
3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-ol is sourced from PubChem (CID 106172383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).