3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol

C12H27NO4 — CID 104567766

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)COCCOCCOC
InChIInChI=1S/C12H27NO4/c1-4-5-13-12(2,10-14)11-17-9-8-16-7-6-15-3/h13-14H,4-11H2,1-3H3
InChIKeyUCGMVGPHJSWIIS-UHFFFAOYSA-N
MW249.35 g/mol
LogP0.42
Rot. Bonds12

About 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol

3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 104567766) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol
PubChem CID104567766
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)COCCOCCOC
InChIInChI=1S/C12H27NO4/c1-4-5-13-12(2,10-14)11-17-9-8-16-7-6-15-3/h13-14H,4-11H2,1-3H3
InChIKeyUCGMVGPHJSWIIS-UHFFFAOYSA-N
XLogP0.42
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64803416
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 103181446
3-(2-butoxyethoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 64803984
2-methyl-3-propan-2-yloxy-2-(propylamino)propan-1-ol
CID 64804252
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
CID 104564842
4-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64805507
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64806971
1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
5-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64825355
3-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 66226660

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol (CID 104567766) is 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)COCCOCCOC.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is UCGMVGPHJSWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-4-5-13-12(2,10-14)11-17-9-8-16-7-6-15-3/h13-14H,4-11H2,1-3H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol?
3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 0.42, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 104567766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).