1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol

C13H28N2O3 — CID 140835153

IUPAC1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN1CCOCC1)CC(C)O
InChIInChI=1S/C13H28N2O3/c1-12(16)10-15(11-13(2)17)5-3-4-14-6-8-18-9-7-14/h12-13,16-17H,3-11H2,1-2H3
InChIKeyREDLMXNXEJVVCU-UHFFFAOYSA-N
MW260.38 g/mol
LogP-0.23
Rot. Bonds8

About 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol

1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol (PubChem CID 140835153) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol
PubChem CID140835153
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN1CCOCC1)CC(C)O
InChIInChI=1S/C13H28N2O3/c1-12(16)10-15(11-13(2)17)5-3-4-14-6-8-18-9-7-14/h12-13,16-17H,3-11H2,1-2H3
InChIKeyREDLMXNXEJVVCU-UHFFFAOYSA-N
XLogP-0.23
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol 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 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol (CID 140835153) is 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol is CC(O)CN(CCCN1CCOCC1)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol?
The InChIKey is REDLMXNXEJVVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-12(16)10-15(11-13(2)17)5-3-4-14-6-8-18-9-7-14/h12-13,16-17H,3-11H2,1-2H3.
What are the key properties of 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol?
1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol has a molecular weight of 260.38 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(3-morpholin-4-ylpropyl)amino]propan-2-ol is sourced from PubChem (CID 140835153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).