3-[ethyl(2-methylbutyl)amino]oxan-4-ol

C12H25NO2 — CID 115278519

IUPAC3-[ethyl(2-methylbutyl)amino]oxan-4-ol
SMILESCCC(C)CN(CC)C1COCCC1O
InChIInChI=1S/C12H25NO2/c1-4-10(3)8-13(5-2)11-9-15-7-6-12(11)14/h10-12,14H,4-9H2,1-3H3
InChIKeyMLKYRDWWCXKAGO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds5

About 3-[ethyl(2-methylbutyl)amino]oxan-4-ol

3-[ethyl(2-methylbutyl)amino]oxan-4-ol (PubChem CID 115278519) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[ethyl(2-methylbutyl)amino]oxan-4-ol.

Molecular Properties

Compound Name3-[ethyl(2-methylbutyl)amino]oxan-4-ol
PubChem CID115278519
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[ethyl(2-methylbutyl)amino]oxan-4-ol
SMILESCCC(C)CN(CC)C1COCCC1O
InChIInChI=1S/C12H25NO2/c1-4-10(3)8-13(5-2)11-9-15-7-6-12(11)14/h10-12,14H,4-9H2,1-3H3
InChIKeyMLKYRDWWCXKAGO-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylbutyl)amino]oxan-4-ol?
The IUPAC name of 3-[ethyl(2-methylbutyl)amino]oxan-4-ol (CID 115278519) is 3-[ethyl(2-methylbutyl)amino]oxan-4-ol.
What is the SMILES notation for 3-[ethyl(2-methylbutyl)amino]oxan-4-ol?
The canonical SMILES for 3-[ethyl(2-methylbutyl)amino]oxan-4-ol is CCC(C)CN(CC)C1COCCC1O.
What is the InChIKey of 3-[ethyl(2-methylbutyl)amino]oxan-4-ol?
The InChIKey is MLKYRDWWCXKAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-10(3)8-13(5-2)11-9-15-7-6-12(11)14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 3-[ethyl(2-methylbutyl)amino]oxan-4-ol?
3-[ethyl(2-methylbutyl)amino]oxan-4-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylbutyl)amino]oxan-4-ol is sourced from PubChem (CID 115278519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).