3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol

C12H25NO4 — CID 66005279

IUPAC3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
SMILESCCOCCOCC(O)CNCC1CC(O)C1
InChIInChI=1S/C12H25NO4/c1-2-16-3-4-17-9-12(15)8-13-7-10-5-11(14)6-10/h10-15H,2-9H2,1H3
InChIKeySSJQOWIGOQOLHB-UHFFFAOYSA-N
MW247.33 g/mol
LogP-0.24
Rot. Bonds10

About 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol

3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol (PubChem CID 66005279) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
PubChem CID66005279
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
SMILESCCOCCOCC(O)CNCC1CC(O)C1
InChIInChI=1S/C12H25NO4/c1-2-16-3-4-17-9-12(15)8-13-7-10-5-11(14)6-10/h10-15H,2-9H2,1H3
InChIKeySSJQOWIGOQOLHB-UHFFFAOYSA-N
XLogP-0.24
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol (CID 66005279) is 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol is CCOCCOCC(O)CNCC1CC(O)C1.
What is the InChIKey of 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is SSJQOWIGOQOLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-2-16-3-4-17-9-12(15)8-13-7-10-5-11(14)6-10/h10-15H,2-9H2,1H3.
What are the key properties of 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol?
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 247.33 g/mol, XLogP of -0.24, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).