5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol

C11H25NO4 — CID 171541613

IUPAC5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol
SMILESCN(CCC(O)CCO)CCC(O)CCO
InChIInChI=1S/C11H25NO4/c1-12(6-2-10(15)4-8-13)7-3-11(16)5-9-14/h10-11,13-16H,2-9H2,1H3
InChIKeyFUTNKLPCIWWQOE-UHFFFAOYSA-N
MW235.32 g/mol
LogP-0.81
Rot. Bonds10

About 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol

5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol (PubChem CID 171541613) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol.

Molecular Properties

Compound Name5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol
PubChem CID171541613
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Name5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol
SMILESCN(CCC(O)CCO)CCC(O)CCO
InChIInChI=1S/C11H25NO4/c1-12(6-2-10(15)4-8-13)7-3-11(16)5-9-14/h10-11,13-16H,2-9H2,1H3
InChIKeyFUTNKLPCIWWQOE-UHFFFAOYSA-N
XLogP-0.81
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(methylsulfanyl)amino]pentane-1,3-diol
CID 123543844
5-(diethylamino)pentane-1,3-diol
CID 87982279
4-[methyl(propyl)amino]butane-1,2-diol
CID 87171771
2-(dimethylamino)ethanol;heptane-1,3-diol
CID 174958117
hexane-1,3-diol;hydrochloride
CID 141150111
tetrakis(hexane-1,3-diol);titanium
CID 173060887
hexane-1,1,4,6-tetrol
CID 56633159
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
2-[methyl-[3-(methylamino)butyl]amino]ethanol
CID 167236855
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285
1-[bis(2-hydroxyethyl)amino]pentane-1,3,5-triol
CID 87694532

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol?
The IUPAC name of 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol (CID 171541613) is 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol.
What is the SMILES notation for 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol?
The canonical SMILES for 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol is CN(CCC(O)CCO)CCC(O)CCO.
What is the InChIKey of 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol?
The InChIKey is FUTNKLPCIWWQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4/c1-12(6-2-10(15)4-8-13)7-3-11(16)5-9-14/h10-11,13-16H,2-9H2,1H3.
What are the key properties of 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol?
5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol has a molecular weight of 235.32 g/mol, XLogP of -0.81, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol is sourced from PubChem (CID 171541613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).