(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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Related Compounds

(3S)-2,4-dimethyl-3-propoxypentan-2-ol
CID 58469720
2-[(3R)-2,2-dimethylhexan-3-yl]oxy-N,N-dimethylethanamine
CID 166870396
(3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol
CID 58468925
N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine
CID 166870401
2-[2-(dimethylamino)ethoxy]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 21296896
1-[2-(dimethylamino)ethoxy]-4,5,5-trimethylhexan-3-one
CID 58408951
4-[2-butan-2-yloxyethyl(methyl)amino]-2-methylbutan-2-ol
CID 118429106
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783
2-(dimethylamino)ethyl 2,3-dimethylbutanoate
CID 153241938
2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine
CID 62460004
2-[ethoxy(methoxy)methoxy]-N,N-dimethylethanamine
CID 123705763
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203

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).