2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol

C10H23NO2 — CID 81412803

IUPAC2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol
SMILESCCOCCNCC(C)(CC)CO
InChIInChI=1S/C10H23NO2/c1-4-10(3,9-12)8-11-6-7-13-5-2/h11-12H,4-9H2,1-3H3
InChIKeyYYIGLPBFGIUVRQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.02
Rot. Bonds8

About 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol

2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol (PubChem CID 81412803) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol
PubChem CID81412803
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol
SMILESCCOCCNCC(C)(CC)CO
InChIInChI=1S/C10H23NO2/c1-4-10(3,9-12)8-11-6-7-13-5-2/h11-12H,4-9H2,1-3H3
InChIKeyYYIGLPBFGIUVRQ-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Hydroxyethylamino)-3,3-dimethylbutan-2-ol
CID 54004029
2-Methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419256
2-Ethyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419359
2-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 105905578
2-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]-2-ethylbutan-1-ol
CID 105906025
3,3-Dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
CID 106146509
3,3-Dimethyl-4-[2-(trifluoromethoxy)ethylamino]butan-1-ol
CID 106146918
2-Ethyl-2-[[2-(trifluoromethoxy)ethylamino]methyl]butan-1-ol
CID 106256468
(3S)-4-(3-hydroxypropylamino)-2,2-dimethylbutane-1,3-diol
CID 15788402
2-[(3,3-Dimethylbutyl)amino]ethan-1-ol
CID 21304839
2-(2-Hydroxyethylamino)-3,3-dimethylbutan-1-ol
CID 23168038
2-[3-(3-Methylbutoxy)propylamino]ethanol
CID 23342202

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol (CID 81412803) is 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol is CCOCCNCC(C)(CC)CO.
What is the InChIKey of 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is YYIGLPBFGIUVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-10(3,9-12)8-11-6-7-13-5-2/h11-12H,4-9H2,1-3H3.
What are the key properties of 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol?
2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyethylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).