2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol

C14H27NO3 — CID 79920437

IUPAC2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
SMILESOCCN(CCO)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NO3/c16-9-7-15(8-10-17)13-4-11-18-14(12-13)5-2-1-3-6-14/h13,16-17H,1-12H2
InChIKeyDAZJMQJPIQSLJZ-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol

2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol (PubChem CID 79920437) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
PubChem CID79920437
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
SMILESOCCN(CCO)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NO3/c16-9-7-15(8-10-17)13-4-11-18-14(12-13)5-2-1-3-6-14/h13,16-17H,1-12H2
InChIKeyDAZJMQJPIQSLJZ-UHFFFAOYSA-N
XLogP1.15
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol with MolForge

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Related Compounds

2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
CID 79919655
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79919295
2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol
CID 79919415
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
CID 113468045
2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol
CID 79919992
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol (CID 79920437) is 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol is OCCN(CCO)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
The InChIKey is DAZJMQJPIQSLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c16-9-7-15(8-10-17)13-4-11-18-14(12-13)5-2-1-3-6-14/h13,16-17H,1-12H2.
What are the key properties of 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol has a molecular weight of 257.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol is sourced from PubChem (CID 79920437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).