1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol

C12H26N2O3 — CID 113317455

IUPAC1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O3/c1-12(2)10-14(5-7-17-12)9-11(15)8-13-4-6-16-3/h11,13,15H,4-10H2,1-3H3
InChIKeyOEKSTLSFZAQXFS-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.31
Rot. Bonds7

About 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol

1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 113317455) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID113317455
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O3/c1-12(2)10-14(5-7-17-12)9-11(15)8-13-4-6-16-3/h11,13,15H,4-10H2,1-3H3
InChIKeyOEKSTLSFZAQXFS-UHFFFAOYSA-N
XLogP-0.31
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.31
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-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyethylamino)ethanone
CID 79282191
1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475430
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475228
1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 116525065
2-(2,2-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 62561390
1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol
CID 60761061
2-(2,2-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethanol
CID 104752564
4-[2-hydroxy-3-(2-methoxyethylamino)propyl]morpholine-3,5-dione
CID 115475673
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate
CID 83211878
N-[[2-(2,2-dimethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63060233

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol (CID 113317455) is 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CN1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is OEKSTLSFZAQXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(2)10-14(5-7-17-12)9-11(15)8-13-4-6-16-3/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol?
1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 113317455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).