2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol

C12H28N2O4 — CID 123411867

IUPAC2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCC(C)(O)N(N(C(C)(C)O)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C12H28N2O4/c1-9(2,15)13(10(3,4)16)14(11(5,6)17)12(7,8)18/h15-18H,1-8H3
InChIKeyNGENQGWZXURTKO-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.42
Rot. Bonds5

About 2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol

2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol (PubChem CID 123411867) has the molecular formula C12H28N2O4 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol
PubChem CID123411867
Molecular FormulaC12H28N2O4
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCC(C)(O)N(N(C(C)(C)O)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C12H28N2O4/c1-9(2,15)13(10(3,4)16)14(11(5,6)17)12(7,8)18/h15-18H,1-8H3
InChIKeyNGENQGWZXURTKO-UHFFFAOYSA-N
XLogP0.42
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.42
H-Bond Donors ≤ 54
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-[[bis(2-hydroxypropan-2-yl)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-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol (CID 123411867) is 2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol is CC(C)(O)N(N(C(C)(C)O)C(C)(C)O)C(C)(C)O.
What is the InChIKey of 2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
The InChIKey is NGENQGWZXURTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O4/c1-9(2,15)13(10(3,4)16)14(11(5,6)17)12(7,8)18/h15-18H,1-8H3.
What are the key properties of 2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxypropan-2-yl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 123411867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).