2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol

C10H25N3O3 — CID 90878217

IUPAC2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCC(O)N(N(C)C)N(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C10H25N3O3/c1-8(14)12(11(6)7)13(9(2,3)15)10(4,5)16/h8,14-16H,1-7H3
InChIKeyLUYAXVALSWFQLN-UHFFFAOYSA-N
MW235.33 g/mol
LogP-0.22
Rot. Bonds5

About 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol

2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol (PubChem CID 90878217) has the molecular formula C10H25N3O3 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol
PubChem CID90878217
Molecular FormulaC10H25N3O3
Molecular Weight235.33 g/mol
Exact Mass235.19
IUPAC Name2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCC(O)N(N(C)C)N(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C10H25N3O3/c1-8(14)12(11(6)7)13(9(2,3)15)10(4,5)16/h8,14-16H,1-7H3
InChIKeyLUYAXVALSWFQLN-UHFFFAOYSA-N
XLogP-0.22
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)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 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol (CID 90878217) is 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol is CC(O)N(N(C)C)N(C(C)(C)O)C(C)(C)O.
What is the InChIKey of 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
The InChIKey is LUYAXVALSWFQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O3/c1-8(14)12(11(6)7)13(9(2,3)15)10(4,5)16/h8,14-16H,1-7H3.
What are the key properties of 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethylamino(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 90878217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).