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

C10H24N2O4 — CID 57107562

IUPAC2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCC(O)N(C(C)O)N(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C10H24N2O4/c1-7(13)11(8(2)14)12(9(3,4)15)10(5,6)16/h7-8,13-16H,1-6H3
InChIKeyQHDNQQXRZCYBRO-UHFFFAOYSA-N
MW236.31 g/mol
LogP-0.36
Rot. Bonds5

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

2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol (PubChem CID 57107562) has the molecular formula C10H24N2O4 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol
PubChem CID57107562
Molecular FormulaC10H24N2O4
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCC(O)N(C(C)O)N(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C10H24N2O4/c1-7(13)11(8(2)14)12(9(3,4)15)10(5,6)16/h7-8,13-16H,1-6H3
InChIKeyQHDNQQXRZCYBRO-UHFFFAOYSA-N
XLogP-0.36
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 5-0.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol (CID 57107562) is 2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol is CC(O)N(C(C)O)N(C(C)(C)O)C(C)(C)O.
What is the InChIKey of 2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
The InChIKey is QHDNQQXRZCYBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4/c1-7(13)11(8(2)14)12(9(3,4)15)10(5,6)16/h7-8,13-16H,1-6H3.
What are the key properties of 2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol?
2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol has a molecular weight of 236.31 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(1-hydroxyethyl)amino]-(2-hydroxypropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 57107562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).