2-(diethylamino)ethane-1,1-diol;hydrobromide

C6H16BrNO2 — CID 175089044

IUPAC2-(diethylamino)ethane-1,1-diol;hydrobromide
SMILESBr.CCN(CC)CC(O)O
InChIInChI=1S/C6H15NO2.BrH/c1-3-7(4-2)5-6(8)9;/h6,8-9H,3-5H2,1-2H3;1H
InChIKeyPQWIJHJXSNAAJG-UHFFFAOYSA-N
MW214.10 g/mol
LogP0.22
Rot. Bonds4

About 2-(diethylamino)ethane-1,1-diol;hydrobromide

2-(diethylamino)ethane-1,1-diol;hydrobromide (PubChem CID 175089044) has the molecular formula C6H16BrNO2 and a molecular weight of 214.10 g/mol. Its IUPAC name is 2-(diethylamino)ethane-1,1-diol;hydrobromide.

Molecular Properties

Compound Name2-(diethylamino)ethane-1,1-diol;hydrobromide
PubChem CID175089044
Molecular FormulaC6H16BrNO2
Molecular Weight214.10 g/mol
Exact Mass213.04
IUPAC Name2-(diethylamino)ethane-1,1-diol;hydrobromide
SMILESBr.CCN(CC)CC(O)O
InChIInChI=1S/C6H15NO2.BrH/c1-3-7(4-2)5-6(8)9;/h6,8-9H,3-5H2,1-2H3;1H
InChIKeyPQWIJHJXSNAAJG-UHFFFAOYSA-N
XLogP0.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.10
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[docosyl(ethyl)amino]ethane-1,1-diol
CID 175231954
2-[ethyl(octadecyl)amino]ethane-1,1-diol;hydrochloride
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3-(diethylamino)propane-1,2-diol;hydrochloride
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(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
2-(dioctylamino)ethane-1,1-diol
CID 87744502
2-(diethylamino)-1-hydroxyethanesulfonic acid
CID 90014017
1,4-bis(diethylamino)butane-1,3-diol
CID 91528509
3-(diethylamino)-2-methylpropan-1-ol
CID 159908880
1-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 22642430
2-amino-3-(diethylamino)propan-1-ol
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(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethane-1,1-diol;hydrobromide?
The IUPAC name of 2-(diethylamino)ethane-1,1-diol;hydrobromide (CID 175089044) is 2-(diethylamino)ethane-1,1-diol;hydrobromide.
What is the SMILES notation for 2-(diethylamino)ethane-1,1-diol;hydrobromide?
The canonical SMILES for 2-(diethylamino)ethane-1,1-diol;hydrobromide is Br.CCN(CC)CC(O)O.
What is the InChIKey of 2-(diethylamino)ethane-1,1-diol;hydrobromide?
The InChIKey is PQWIJHJXSNAAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.BrH/c1-3-7(4-2)5-6(8)9;/h6,8-9H,3-5H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethane-1,1-diol;hydrobromide?
2-(diethylamino)ethane-1,1-diol;hydrobromide has a molecular weight of 214.10 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethane-1,1-diol;hydrobromide is sourced from PubChem (CID 175089044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).