2-amino-1-(dimethylamino)-1-ethoxyethanol

C6H16N2O2 — CID 172791475

IUPAC2-amino-1-(dimethylamino)-1-ethoxyethanol
SMILESCCOC(O)(CN)N(C)C
InChIInChI=1S/C6H16N2O2/c1-4-10-6(9,5-7)8(2)3/h9H,4-5,7H2,1-3H3
InChIKeyPPXPCYBBSIXITG-UHFFFAOYSA-N
MW148.21 g/mol
LogP-0.81
Rot. Bonds4

About 2-amino-1-(dimethylamino)-1-ethoxyethanol

2-amino-1-(dimethylamino)-1-ethoxyethanol (PubChem CID 172791475) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-1-ethoxyethanol.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-1-ethoxyethanol
PubChem CID172791475
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name2-amino-1-(dimethylamino)-1-ethoxyethanol
SMILESCCOC(O)(CN)N(C)C
InChIInChI=1S/C6H16N2O2/c1-4-10-6(9,5-7)8(2)3/h9H,4-5,7H2,1-3H3
InChIKeyPPXPCYBBSIXITG-UHFFFAOYSA-N
XLogP-0.81
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-1-(dimethylamino)-1-ethoxyethanol 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 2-amino-1-(dimethylamino)-1-ethoxyethanol?
The IUPAC name of 2-amino-1-(dimethylamino)-1-ethoxyethanol (CID 172791475) is 2-amino-1-(dimethylamino)-1-ethoxyethanol.
What is the SMILES notation for 2-amino-1-(dimethylamino)-1-ethoxyethanol?
The canonical SMILES for 2-amino-1-(dimethylamino)-1-ethoxyethanol is CCOC(O)(CN)N(C)C.
What is the InChIKey of 2-amino-1-(dimethylamino)-1-ethoxyethanol?
The InChIKey is PPXPCYBBSIXITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-4-10-6(9,5-7)8(2)3/h9H,4-5,7H2,1-3H3.
What are the key properties of 2-amino-1-(dimethylamino)-1-ethoxyethanol?
2-amino-1-(dimethylamino)-1-ethoxyethanol has a molecular weight of 148.21 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)-1-ethoxyethanol is sourced from PubChem (CID 172791475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).