3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride

C12H29ClN2O3 — CID 158990707

IUPAC3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride
SMILESCC(CO)NC(C)CO.CC1COCC(C)N1.Cl
InChIInChI=1S/C6H15NO2.C6H13NO.ClH/c1-5(3-8)7-6(2)4-9;1-5-3-8-4-6(2)7-5;/h5-9H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;1H
InChIKeyODRXHQODSPCLLO-UHFFFAOYSA-N
MW284.83 g/mol
LogP0.14
Rot. Bonds4

About 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride

3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride (PubChem CID 158990707) has the molecular formula C12H29ClN2O3 and a molecular weight of 284.83 g/mol. Its IUPAC name is 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride
PubChem CID158990707
Molecular FormulaC12H29ClN2O3
Molecular Weight284.83 g/mol
Exact Mass284.19
IUPAC Name3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride
SMILESCC(CO)NC(C)CO.CC1COCC(C)N1.Cl
InChIInChI=1S/C6H15NO2.C6H13NO.ClH/c1-5(3-8)7-6(2)4-9;1-5-3-8-4-6(2)7-5;/h5-9H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;1H
InChIKeyODRXHQODSPCLLO-UHFFFAOYSA-N
XLogP0.14
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride?
The IUPAC name of 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride (CID 158990707) is 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride is CC(CO)NC(C)CO.CC1COCC(C)N1.Cl.
What is the InChIKey of 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride?
The InChIKey is ODRXHQODSPCLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C6H13NO.ClH/c1-5(3-8)7-6(2)4-9;1-5-3-8-4-6(2)7-5;/h5-9H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;1H.
What are the key properties of 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride?
3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylmorpholine;2-(1-hydroxypropan-2-ylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 158990707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).