2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol

C13H27NO3 — CID 114242927

IUPAC2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol
SMILESCN(CCOCCO)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NO3/c1-12(2)10-11(13(3,4)17-12)14(5)6-8-16-9-7-15/h11,15H,6-10H2,1-5H3
InChIKeyDRAYWWQJRFNOAR-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.27
Rot. Bonds6

About 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol

2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol (PubChem CID 114242927) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol
PubChem CID114242927
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol
SMILESCN(CCOCCO)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NO3/c1-12(2)10-11(13(3,4)17-12)14(5)6-8-16-9-7-15/h11,15H,6-10H2,1-5H3
InChIKeyDRAYWWQJRFNOAR-UHFFFAOYSA-N
XLogP1.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol
CID 111448367
2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile
CID 114621271
2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol
CID 115938376
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
N'-butyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine
CID 114624051
3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114624243
2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
CID 107173264
2-[2-[2-[amino(methyl)amino]ethoxy]ethoxy]ethanol
CID 87109457
N-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-amine
CID 79926980
3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
CID 114621228
2-[ethyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanethioamide
CID 114621309

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol (CID 114242927) is 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol is CN(CCOCCO)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol?
The InChIKey is DRAYWWQJRFNOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-12(2)10-11(13(3,4)17-12)14(5)6-8-16-9-7-15/h11,15H,6-10H2,1-5H3.
What are the key properties of 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol?
2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol has a molecular weight of 245.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 114242927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).