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

C10H24N2O2 — CID 89188762

IUPAC2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCCN(CC)N(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C10H24N2O2/c1-7-11(8-2)12(9(3,4)13)10(5,6)14/h13-14H,7-8H2,1-6H3
InChIKeyZZVVZRHLGKDZKL-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.00
Rot. Bonds5

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

2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol (PubChem CID 89188762) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol
PubChem CID89188762
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCCN(CC)N(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C10H24N2O2/c1-7-11(8-2)12(9(3,4)13)10(5,6)14/h13-14H,7-8H2,1-6H3
InChIKeyZZVVZRHLGKDZKL-UHFFFAOYSA-N
XLogP1.00
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[diethylamino(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-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol (CID 89188762) is 2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol is CCN(CC)N(C(C)(C)O)C(C)(C)O.
What is the InChIKey of 2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol?
The InChIKey is ZZVVZRHLGKDZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-7-11(8-2)12(9(3,4)13)10(5,6)14/h13-14H,7-8H2,1-6H3.
What are the key properties of 2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol?
2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol has a molecular weight of 204.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 89188762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).