1-(ethoxyamino)-2,3-dimethylbutan-2-ol

C8H19NO2 — CID 114400807

IUPAC1-(ethoxyamino)-2,3-dimethylbutan-2-ol
SMILESCCONCC(C)(O)C(C)C
InChIInChI=1S/C8H19NO2/c1-5-11-9-6-8(4,10)7(2)3/h7,9-10H,5-6H2,1-4H3
InChIKeyZEQNFESRAFFITI-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.93
Rot. Bonds5

About 1-(ethoxyamino)-2,3-dimethylbutan-2-ol

1-(ethoxyamino)-2,3-dimethylbutan-2-ol (PubChem CID 114400807) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-(ethoxyamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(ethoxyamino)-2,3-dimethylbutan-2-ol
PubChem CID114400807
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-(ethoxyamino)-2,3-dimethylbutan-2-ol
SMILESCCONCC(C)(O)C(C)C
InChIInChI=1S/C8H19NO2/c1-5-11-9-6-8(4,10)7(2)3/h7,9-10H,5-6H2,1-4H3
InChIKeyZEQNFESRAFFITI-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(ethoxyamino)-2,3-dimethylbutan-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 1-(ethoxyamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(ethoxyamino)-2,3-dimethylbutan-2-ol (CID 114400807) is 1-(ethoxyamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(ethoxyamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(ethoxyamino)-2,3-dimethylbutan-2-ol is CCONCC(C)(O)C(C)C.
What is the InChIKey of 1-(ethoxyamino)-2,3-dimethylbutan-2-ol?
The InChIKey is ZEQNFESRAFFITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-5-11-9-6-8(4,10)7(2)3/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 1-(ethoxyamino)-2,3-dimethylbutan-2-ol?
1-(ethoxyamino)-2,3-dimethylbutan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxyamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114400807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).