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

C8H19NO2 — CID 57071845

IUPAC2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCCN(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C8H19NO2/c1-6-9(7(2,3)10)8(4,5)11/h10-11H,6H2,1-5H3
InChIKeyAGMHJGUFSULTCO-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.77
Rot. Bonds3

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

2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol (PubChem CID 57071845) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol
PubChem CID57071845
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol
SMILESCCN(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C8H19NO2/c1-6-9(7(2,3)10)8(4,5)11/h10-11H,6H2,1-5H3
InChIKeyAGMHJGUFSULTCO-UHFFFAOYSA-N
XLogP0.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol (CID 57071845) is 2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol is CCN(C(C)(C)O)C(C)(C)O.
What is the InChIKey of 2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol?
The InChIKey is AGMHJGUFSULTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-6-9(7(2,3)10)8(4,5)11/h10-11H,6H2,1-5H3.
What are the key properties of 2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol?
2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxypropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 57071845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).