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

C22H50N2O4 — CID 158257975

IUPAC4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C)C(C)CC(C)O.CC(O)CC(C)N(C)C(C)CC(C)O
InChIInChI=1S/2C11H25NO2/c2*1-8(6-10(3)13)12(5)9(2)7-11(4)14/h2*8-11,13-14H,6-7H2,1-5H3
InChIKeyGHMZZOKABHSLQO-UHFFFAOYSA-N
MW406.65 g/mol
LogP2.47
Rot. Bonds12

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

4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol (PubChem CID 158257975) has the molecular formula C22H50N2O4 and a molecular weight of 406.65 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 CID158257975
Molecular FormulaC22H50N2O4
Molecular Weight406.65 g/mol
Exact Mass406.38
IUPAC Name4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
SMILESCC(O)CC(C)N(C)C(C)CC(C)O.CC(O)CC(C)N(C)C(C)CC(C)O
InChIInChI=1S/2C11H25NO2/c2*1-8(6-10(3)13)12(5)9(2)7-11(4)14/h2*8-11,13-14H,6-7H2,1-5H3
InChIKeyGHMZZOKABHSLQO-UHFFFAOYSA-N
XLogP2.47
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.65
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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 158257975) 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.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 GHMZZOKABHSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H25NO2/c2*1-8(6-10(3)13)12(5)9(2)7-11(4)14/h2*8-11,13-14H,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 406.65 g/mol, XLogP of 2.47, 12 rotatable bonds, 4 hydrogen bond donors, and 6 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 158257975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).