1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol

C12H25NO4 — CID 106991250

IUPAC1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol
SMILESCNCC1CC(OCC(O)COCCOC)C1
InChIInChI=1S/C12H25NO4/c1-13-7-10-5-12(6-10)17-9-11(14)8-16-4-3-15-2/h10-14H,3-9H2,1-2H3
InChIKeyRCKNVVOPPUALOK-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.02
Rot. Bonds10

About 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol

1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol (PubChem CID 106991250) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol
PubChem CID106991250
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol
SMILESCNCC1CC(OCC(O)COCCOC)C1
InChIInChI=1S/C12H25NO4/c1-13-7-10-5-12(6-10)17-9-11(14)8-16-4-3-15-2/h10-14H,3-9H2,1-2H3
InChIKeyRCKNVVOPPUALOK-UHFFFAOYSA-N
XLogP0.02
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.02
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

1-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol
CID 106938597
1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine
CID 115486785
methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate
CID 106940433
1-(2-methoxyethoxy)-3-[1-(methylamino)propan-2-yloxy]propan-2-ol
CID 106991208
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005279
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol (CID 106991250) is 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol is CNCC1CC(OCC(O)COCCOC)C1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol?
The InChIKey is RCKNVVOPPUALOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-13-7-10-5-12(6-10)17-9-11(14)8-16-4-3-15-2/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol?
1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol has a molecular weight of 247.33 g/mol, XLogP of 0.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol is sourced from PubChem (CID 106991250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).