3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol

C12H25NO2 — CID 79568014

IUPAC3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)OCC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C12H25NO2/c1-10(2)15-9-11(14)12(3,4)13-7-5-6-8-13/h10-11,14H,5-9H2,1-4H3
InChIKeyYAGUPBYYYYUTOG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds5

About 3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol

3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol (PubChem CID 79568014) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol
PubChem CID79568014
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)OCC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C12H25NO2/c1-10(2)15-9-11(14)12(3,4)13-7-5-6-8-13/h10-11,14H,5-9H2,1-4H3
InChIKeyYAGUPBYYYYUTOG-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
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-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of 3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol (CID 79568014) is 3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for 3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for 3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol is CC(C)OCC(O)C(C)(C)N1CCCC1.
What is the InChIKey of 3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is YAGUPBYYYYUTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)15-9-11(14)12(3,4)13-7-5-6-8-13/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol?
3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 79568014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).