3-(diethylamino)propane-1,2-diol;hydrochloride

C7H18ClNO2 — CID 174870807

IUPAC3-(diethylamino)propane-1,2-diol;hydrochloride
SMILESCCN(CC)CC(O)CO.Cl
InChIInChI=1S/C7H17NO2.ClH/c1-3-8(4-2)5-7(10)6-9;/h7,9-10H,3-6H2,1-2H3;1H
InChIKeyYTVOUUHHHWWACV-UHFFFAOYSA-N
MW183.68 g/mol
LogP0.10
Rot. Bonds5

About 3-(diethylamino)propane-1,2-diol;hydrochloride

3-(diethylamino)propane-1,2-diol;hydrochloride (PubChem CID 174870807) has the molecular formula C7H18ClNO2 and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-(diethylamino)propane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)propane-1,2-diol;hydrochloride
PubChem CID174870807
Molecular FormulaC7H18ClNO2
Molecular Weight183.68 g/mol
Exact Mass183.10
IUPAC Name3-(diethylamino)propane-1,2-diol;hydrochloride
SMILESCCN(CC)CC(O)CO.Cl
InChIInChI=1S/C7H17NO2.ClH/c1-3-8(4-2)5-7(10)6-9;/h7,9-10H,3-6H2,1-2H3;1H
InChIKeyYTVOUUHHHWWACV-UHFFFAOYSA-N
XLogP0.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
3-(diethylamino)-2-methylpropan-1-ol
CID 159908880
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
8-(diethylamino)octane-1,7-diol
CID 19030812
1,4-bis(diethylamino)butane-1,3-diol
CID 91528509
2-(diethylamino)ethane-1,1-diol;hydrobromide
CID 175089044
2-amino-3-(diethylamino)propan-1-ol
CID 57209208
butane-1,2-diol;hydrochloride
CID 141185193
6-(diethylamino)hexane-1,2-diol
CID 18995566
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propane-1,2-diol;hydrochloride?
The IUPAC name of 3-(diethylamino)propane-1,2-diol;hydrochloride (CID 174870807) is 3-(diethylamino)propane-1,2-diol;hydrochloride.
What is the SMILES notation for 3-(diethylamino)propane-1,2-diol;hydrochloride?
The canonical SMILES for 3-(diethylamino)propane-1,2-diol;hydrochloride is CCN(CC)CC(O)CO.Cl.
What is the InChIKey of 3-(diethylamino)propane-1,2-diol;hydrochloride?
The InChIKey is YTVOUUHHHWWACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.ClH/c1-3-8(4-2)5-7(10)6-9;/h7,9-10H,3-6H2,1-2H3;1H.
What are the key properties of 3-(diethylamino)propane-1,2-diol;hydrochloride?
3-(diethylamino)propane-1,2-diol;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propane-1,2-diol;hydrochloride is sourced from PubChem (CID 174870807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).