(3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol

C11H25NO2 — CID 89424025

IUPAC(3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol
SMILESCC(C)[C@H](OCCN(C)C)C(C)(C)O
InChIInChI=1S/C11H25NO2/c1-9(2)10(11(3,4)13)14-8-7-12(5)6/h9-10,13H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyFYAZMEFWSVJICN-JTQLQIEISA-N
MW203.33 g/mol
LogP1.36
Rot. Bonds6

About (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol

(3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol (PubChem CID 89424025) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol
PubChem CID89424025
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol
SMILESCC(C)[C@H](OCCN(C)C)C(C)(C)O
InChIInChI=1S/C11H25NO2/c1-9(2)10(11(3,4)13)14-8-7-12(5)6/h9-10,13H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyFYAZMEFWSVJICN-JTQLQIEISA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol?
The IUPAC name of (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol (CID 89424025) is (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol?
The canonical SMILES for (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol is CC(C)[C@H](OCCN(C)C)C(C)(C)O.
What is the InChIKey of (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol?
The InChIKey is FYAZMEFWSVJICN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)10(11(3,4)13)14-8-7-12(5)6/h9-10,13H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol?
(3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 89424025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).