5-(diethylamino)pentane-1,3-diol

C9H21NO2 — CID 87982279

IUPAC5-(diethylamino)pentane-1,3-diol
SMILESCCN(CC)CCC(O)CCO
InChIInChI=1S/C9H21NO2/c1-3-10(4-2)7-5-9(12)6-8-11/h9,11-12H,3-8H2,1-2H3
InChIKeyMKGUMTBEKHLUKP-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.46
Rot. Bonds7

About 5-(diethylamino)pentane-1,3-diol

5-(diethylamino)pentane-1,3-diol (PubChem CID 87982279) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-(diethylamino)pentane-1,3-diol.

Molecular Properties

Compound Name5-(diethylamino)pentane-1,3-diol
PubChem CID87982279
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name5-(diethylamino)pentane-1,3-diol
SMILESCCN(CC)CCC(O)CCO
InChIInChI=1S/C9H21NO2/c1-3-10(4-2)7-5-9(12)6-8-11/h9,11-12H,3-8H2,1-2H3
InChIKeyMKGUMTBEKHLUKP-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylamino)octan-3-ol
CID 79086680
5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol
CID 171541613
5-[methyl(methylsulfanyl)amino]pentane-1,3-diol
CID 123543844
hexane-1,3-diol;hydrochloride
CID 141150111
tetrakis(hexane-1,3-diol);titanium
CID 173060887
(3R)-6-(diethylamino)-3-ethylhexan-1-ol
CID 118889911
6-(diethylamino)hexane-1,2-diol
CID 18995566
7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-(dimethylamino)ethanol;heptane-1,3-diol
CID 174958117

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)pentane-1,3-diol?
The IUPAC name of 5-(diethylamino)pentane-1,3-diol (CID 87982279) is 5-(diethylamino)pentane-1,3-diol.
What is the SMILES notation for 5-(diethylamino)pentane-1,3-diol?
The canonical SMILES for 5-(diethylamino)pentane-1,3-diol is CCN(CC)CCC(O)CCO.
What is the InChIKey of 5-(diethylamino)pentane-1,3-diol?
The InChIKey is MKGUMTBEKHLUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-10(4-2)7-5-9(12)6-8-11/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 5-(diethylamino)pentane-1,3-diol?
5-(diethylamino)pentane-1,3-diol has a molecular weight of 175.27 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)pentane-1,3-diol is sourced from PubChem (CID 87982279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).