3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol

C9H21NO2 — CID 79567326

IUPAC3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol
SMILESCCOCC(O)C(C)(C)N(C)C
InChIInChI=1S/C9H21NO2/c1-6-12-7-8(11)9(2,3)10(4)5/h8,11H,6-7H2,1-5H3
InChIKeyHDMCRCCMDKVUNM-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.72
Rot. Bonds5

About 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol

3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol (PubChem CID 79567326) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol
PubChem CID79567326
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol
SMILESCCOCC(O)C(C)(C)N(C)C
InChIInChI=1S/C9H21NO2/c1-6-12-7-8(11)9(2,3)10(4)5/h8,11H,6-7H2,1-5H3
InChIKeyHDMCRCCMDKVUNM-UHFFFAOYSA-N
XLogP0.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567325
1-ethoxy-3-methoxy-3-methylbutan-2-ol
CID 79575165
3-(diethylamino)-1-ethoxy-3-ethylpentan-2-ol
CID 79568434
1-ethoxy-3-methyl-3-methylsulfonylbutan-2-ol
CID 115818689
3-(diethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567595
1-ethoxy-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
CID 63964444
2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
CID 87485904
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938
3-tert-butyl-1-ethoxyhexane-2,4-diol
CID 123719699
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
3-(dimethylamino)-3-methylbutan-2-ol
CID 59861746
3,3-dimethyl-1-propoxybutan-2-ol
CID 20658603

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol?
The IUPAC name of 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol (CID 79567326) is 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol?
The canonical SMILES for 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol is CCOCC(O)C(C)(C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol?
The InChIKey is HDMCRCCMDKVUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-6-12-7-8(11)9(2,3)10(4)5/h8,11H,6-7H2,1-5H3.
What are the key properties of 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol?
3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol is sourced from PubChem (CID 79567326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).