4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol

C11H25NO2 — CID 142726769

IUPAC4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C)C(C)CC(C)O
InChIInChI=1S/C11H25NO2/c1-8(6-10(3)13)12(5)9(2)7-11(4)14/h8-11,13-14H,6-7H2,1-5H3
InChIKeyPLGKDVSLIGJZGW-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.24
Rot. Bonds6

About 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol

4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol (PubChem CID 142726769) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
PubChem CID142726769
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C)C(C)CC(C)O
InChIInChI=1S/C11H25NO2/c1-8(6-10(3)13)12(5)9(2)7-11(4)14/h8-11,13-14H,6-7H2,1-5H3
InChIKeyPLGKDVSLIGJZGW-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 158257975
4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol
CID 142726782
tris(pentane-2,4-diol);ruthenium
CID 5231187
copper bis(pentane-2,4-diol)
CID 135036707
europium;tetrakis(pentane-2,4-diol)
CID 59946569
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426
CID 6395570
CID 6395570
lanthanum;tris(pentane-2,4-diol);dihydrate
CID 5245936
(2S)-1-(dimethylamino)-4-methylpentane-1,2-diol
CID 166674176
(1S)-1-(dimethylamino)ethanol
CID 93477761

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol?
The IUPAC name of 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol (CID 142726769) is 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol.
What is the SMILES notation for 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol?
The canonical SMILES for 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol is CC(O)CC(C)N(C)C(C)CC(C)O.
What is the InChIKey of 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol?
The InChIKey is PLGKDVSLIGJZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-8(6-10(3)13)12(5)9(2)7-11(4)14/h8-11,13-14H,6-7H2,1-5H3.
What are the key properties of 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol?
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol is sourced from PubChem (CID 142726769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).