2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol

C8H20N2O2 — CID 57088705

IUPAC2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol
SMILESCCN(N(C)C(C)O)C(C)(C)O
InChIInChI=1S/C8H20N2O2/c1-6-10(8(3,4)12)9(5)7(2)11/h7,11-12H,6H2,1-5H3
InChIKeyZERZDYZREOTSMQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.22
Rot. Bonds4

About 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol

2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol (PubChem CID 57088705) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol.

Molecular Properties

Compound Name2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol
PubChem CID57088705
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol
SMILESCCN(N(C)C(C)O)C(C)(C)O
InChIInChI=1S/C8H20N2O2/c1-6-10(8(3,4)12)9(5)7(2)11/h7,11-12H,6H2,1-5H3
InChIKeyZERZDYZREOTSMQ-UHFFFAOYSA-N
XLogP0.22
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol?
The IUPAC name of 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol (CID 57088705) is 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol.
What is the SMILES notation for 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol?
The canonical SMILES for 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol is CCN(N(C)C(C)O)C(C)(C)O.
What is the InChIKey of 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol?
The InChIKey is ZERZDYZREOTSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-6-10(8(3,4)12)9(5)7(2)11/h7,11-12H,6H2,1-5H3.
What are the key properties of 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol?
2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol has a molecular weight of 176.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-hydroxyethyl(methyl)amino]amino]propan-2-ol is sourced from PubChem (CID 57088705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).