1-[2,2-bis(methylamino)ethoxy]ethanol

C6H16N2O2 — CID 88636385

IUPAC1-[2,2-bis(methylamino)ethoxy]ethanol
SMILESCNC(COC(C)O)NC
InChIInChI=1S/C6H16N2O2/c1-5(9)10-4-6(7-2)8-3/h5-9H,4H2,1-3H3
InChIKeyQMMYEJKBPGNUAO-UHFFFAOYSA-N
MW148.21 g/mol
LogP-0.89
Rot. Bonds5

About 1-[2,2-bis(methylamino)ethoxy]ethanol

1-[2,2-bis(methylamino)ethoxy]ethanol (PubChem CID 88636385) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-[2,2-bis(methylamino)ethoxy]ethanol.

Molecular Properties

Compound Name1-[2,2-bis(methylamino)ethoxy]ethanol
PubChem CID88636385
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name1-[2,2-bis(methylamino)ethoxy]ethanol
SMILESCNC(COC(C)O)NC
InChIInChI=1S/C6H16N2O2/c1-5(9)10-4-6(7-2)8-3/h5-9H,4H2,1-3H3
InChIKeyQMMYEJKBPGNUAO-UHFFFAOYSA-N
XLogP-0.89
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxyethanol;N-methylmethanamine
CID 18941772
1-(2-methylpentoxy)ethanol
CID 173285010
CID 159597367
CID 159597367
2-(methylamino)pentane-1,4-diol
CID 90884823
2-(hydroxymethoxy)-1-(methylamino)ethanol
CID 163734431
strontium;1-ethoxyethanol;hydride
CID 174472576
1-(2-hexyldecoxy)ethanol
CID 21270603
ethanamine;1-ethoxyethanol
CID 20501270
1-[3,5,5-tris(methylamino)hexoxy]ethanol
CID 174472979
3-(methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol
CID 123789565
1-(methylamino)ethanol;hydroiodide
CID 173051300
tris(pentane-2,4-diol);ruthenium
CID 5231187

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(methylamino)ethoxy]ethanol?
The IUPAC name of 1-[2,2-bis(methylamino)ethoxy]ethanol (CID 88636385) is 1-[2,2-bis(methylamino)ethoxy]ethanol.
What is the SMILES notation for 1-[2,2-bis(methylamino)ethoxy]ethanol?
The canonical SMILES for 1-[2,2-bis(methylamino)ethoxy]ethanol is CNC(COC(C)O)NC.
What is the InChIKey of 1-[2,2-bis(methylamino)ethoxy]ethanol?
The InChIKey is QMMYEJKBPGNUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-5(9)10-4-6(7-2)8-3/h5-9H,4H2,1-3H3.
What are the key properties of 1-[2,2-bis(methylamino)ethoxy]ethanol?
1-[2,2-bis(methylamino)ethoxy]ethanol has a molecular weight of 148.21 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(methylamino)ethoxy]ethanol is sourced from PubChem (CID 88636385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).