2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol

C14H27NO3 — CID 64862901

IUPAC2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
SMILESCCOC1CC(NCCOCCO)C12CCCC2
InChIInChI=1S/C14H27NO3/c1-2-18-13-11-12(14(13)5-3-4-6-14)15-7-9-17-10-8-16/h12-13,15-16H,2-11H2,1H3
InChIKeyUZXZERAQJOUUNB-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.32
Rot. Bonds8

About 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol

2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol (PubChem CID 64862901) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
PubChem CID64862901
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
SMILESCCOC1CC(NCCOCCO)C12CCCC2
InChIInChI=1S/C14H27NO3/c1-2-18-13-11-12(14(13)5-3-4-6-14)15-7-9-17-10-8-16/h12-13,15-16H,2-11H2,1H3
InChIKeyUZXZERAQJOUUNB-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol (CID 64862901) is 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol is CCOC1CC(NCCOCCO)C12CCCC2.
What is the InChIKey of 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol?
The InChIKey is UZXZERAQJOUUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-18-13-11-12(14(13)5-3-4-6-14)15-7-9-17-10-8-16/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol?
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol has a molecular weight of 257.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 64862901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).