1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

C11H26ClNO4 — CID 18593249

IUPAC1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)OCC(O)CN(CCO)CCO.Cl
InChIInChI=1S/C11H25NO4.ClH/c1-11(2,3)16-9-10(15)8-12(4-6-13)5-7-14;/h10,13-15H,4-9H2,1-3H3;1H
InChIKeyJIOTZDJUVFQQFV-UHFFFAOYSA-N
MW271.78 g/mol
LogP-0.13
Rot. Bonds8

About 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (PubChem CID 18593249) has the molecular formula C11H26ClNO4 and a molecular weight of 271.78 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
PubChem CID18593249
Molecular FormulaC11H26ClNO4
Molecular Weight271.78 g/mol
Exact Mass271.16
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)OCC(O)CN(CCO)CCO.Cl
InChIInChI=1S/C11H25NO4.ClH/c1-11(2,3)16-9-10(15)8-12(4-6-13)5-7-14;/h10,13-15H,4-9H2,1-3H3;1H
InChIKeyJIOTZDJUVFQQFV-UHFFFAOYSA-N
XLogP-0.13
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.78
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride 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-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (CID 18593249) is 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is CC(C)(C)OCC(O)CN(CCO)CCO.Cl.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The InChIKey is JIOTZDJUVFQQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4.ClH/c1-11(2,3)16-9-10(15)8-12(4-6-13)5-7-14;/h10,13-15H,4-9H2,1-3H3;1H.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride has a molecular weight of 271.78 g/mol, XLogP of -0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 18593249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).