1-(dimethylamino)-1,2-diethoxyethanol

C8H19NO3 — CID 87239515

IUPAC1-(dimethylamino)-1,2-diethoxyethanol
SMILESCCOCC(O)(OCC)N(C)C
InChIInChI=1S/C8H19NO3/c1-5-11-7-8(10,9(3)4)12-6-2/h10H,5-7H2,1-4H3
InChIKeyMZYLEFZAEJMEBI-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.27
Rot. Bonds6

About 1-(dimethylamino)-1,2-diethoxyethanol

1-(dimethylamino)-1,2-diethoxyethanol (PubChem CID 87239515) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(dimethylamino)-1,2-diethoxyethanol.

Molecular Properties

Compound Name1-(dimethylamino)-1,2-diethoxyethanol
PubChem CID87239515
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name1-(dimethylamino)-1,2-diethoxyethanol
SMILESCCOCC(O)(OCC)N(C)C
InChIInChI=1S/C8H19NO3/c1-5-11-7-8(10,9(3)4)12-6-2/h10H,5-7H2,1-4H3
InChIKeyMZYLEFZAEJMEBI-UHFFFAOYSA-N
XLogP0.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
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

2-amino-1-(dimethylamino)-1-ethoxyethanol
CID 172791475
2,3-diethoxy-2-hydroxypropanenitrile
CID 88744679
2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol
CID 174350180
1,3-diethoxy-2,2-bis(ethoxymethyl)propane;tetrakis(N,N-dimethylmethanamine);tetrahydroiodide
CID 173321778
1,2-diethoxy-1-prop-2-enoxyethanol
CID 155338451
3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
CID 90227656
ethyl 2,2,3-triethoxypropanoate
CID 175005029
[1,1-diethoxy-2-(2-methylprop-2-enoxy)ethyl]silane
CID 173011570
3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane
CID 158145131
2-ethoxy-1-methoxypropan-2-ol
CID 148549797

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1,2-diethoxyethanol?
The IUPAC name of 1-(dimethylamino)-1,2-diethoxyethanol (CID 87239515) is 1-(dimethylamino)-1,2-diethoxyethanol.
What is the SMILES notation for 1-(dimethylamino)-1,2-diethoxyethanol?
The canonical SMILES for 1-(dimethylamino)-1,2-diethoxyethanol is CCOCC(O)(OCC)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1,2-diethoxyethanol?
The InChIKey is MZYLEFZAEJMEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-5-11-7-8(10,9(3)4)12-6-2/h10H,5-7H2,1-4H3.
What are the key properties of 1-(dimethylamino)-1,2-diethoxyethanol?
1-(dimethylamino)-1,2-diethoxyethanol has a molecular weight of 177.24 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1,2-diethoxyethanol is sourced from PubChem (CID 87239515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).