2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine

C30H61B2N3O8 — CID 164985382

IUPAC2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine
SMILESC#CCN.CC/C=C/B1OC(C)(C)C(C)(C)O1.CC1(C)OB(/C=C/COCCOCCN)OC1(C)C.NCCOCCO
InChIInChI=1S/C13H26BNO4.C10H19BO2.C4H11NO2.C3H5N/c1-12(2)13(3,4)19-14(18-12)6-5-8-16-10-11-17-9-7-15;1-6-7-8-11-12-9(2,3)10(4,5)13-11;5-1-3-7-4-2-6;1-2-3-4/h5-6H,7-11,15H2,1-4H3;7-8H,6H2,1-5H3;6H,1-5H2;1H,3-4H2/b6-5+;8-7+;;
InChIKeyGBWASOWVNBMIJN-NBIKRKFASA-N
MW613.46 g/mol
LogP2.28
Rot. Bonds14

About 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine

2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine (PubChem CID 164985382) has the molecular formula C30H61B2N3O8 and a molecular weight of 613.46 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine
PubChem CID164985382
Molecular FormulaC30H61B2N3O8
Molecular Weight613.46 g/mol
Exact Mass613.46
IUPAC Name2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine
SMILESC#CCN.CC/C=C/B1OC(C)(C)C(C)(C)O1.CC1(C)OB(/C=C/COCCOCCN)OC1(C)C.NCCOCCO
InChIInChI=1S/C13H26BNO4.C10H19BO2.C4H11NO2.C3H5N/c1-12(2)13(3,4)19-14(18-12)6-5-8-16-10-11-17-9-7-15;1-6-7-8-11-12-9(2,3)10(4,5)13-11;5-1-3-7-4-2-6;1-2-3-4/h5-6H,7-11,15H2,1-4H3;7-8H,6H2,1-5H3;6H,1-5H2;1H,3-4H2/b6-5+;8-7+;;
InChIKeyGBWASOWVNBMIJN-NBIKRKFASA-N
XLogP2.28
TPSA162.90 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.46
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine with MolForge

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Related Compounds

2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90117460
2-[(E)-pent-2-enoxy]ethanol
CID 130122499
2-[(E)-3-[(2E)-2,4-dimethylpenta-2,4-dienoxy]prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140959268
[3,3-dimethyl-1-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]butan-2-yl] carbamate
CID 175221498
2-(2-aminoethoxy)ethanol;ethane;propane
CID 144692156
tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate
CID 25023111
2-[2-[3-[2-(2-aminoethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 142386297
2-[2-(2-but-1-enoxyethoxy)ethoxy]ethanol
CID 140501157
[(E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enyl] 2,2-dimethylpropanoate
CID 53304621
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)
CID 157407774

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine?
The IUPAC name of 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine (CID 164985382) is 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine?
The canonical SMILES for 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine is C#CCN.CC/C=C/B1OC(C)(C)C(C)(C)O1.CC1(C)OB(/C=C/COCCOCCN)OC1(C)C.NCCOCCO.
What is the InChIKey of 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine?
The InChIKey is GBWASOWVNBMIJN-NBIKRKFASA-N. The full InChI is InChI=1S/C13H26BNO4.C10H19BO2.C4H11NO2.C3H5N/c1-12(2)13(3,4)19-14(18-12)6-5-8-16-10-11-17-9-7-15;1-6-7-8-11-12-9(2,3)10(4,5)13-11;5-1-3-7-4-2-6;1-2-3-4/h5-6H,7-11,15H2,1-4H3;7-8H,6H2,1-5H3;6H,1-5H2;1H,3-4H2/b6-5+;8-7+;;.
What are the key properties of 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine?
2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine has a molecular weight of 613.46 g/mol, XLogP of 2.28, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanol;2-[(E)-but-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-yn-1-amine;2-[2-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]ethanamine is sourced from PubChem (CID 164985382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).