6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one

C11H23NO3 — CID 106801581

IUPAC6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CCO)CCOC
InChIInChI=1S/C11H23NO3/c1-3-11(14)5-4-6-12(7-9-13)8-10-15-2/h13H,3-10H2,1-2H3
InChIKeyHHFUCFCKYNLHCF-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.69
Rot. Bonds10

About 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one

6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one (PubChem CID 106801581) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one
PubChem CID106801581
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CCO)CCOC
InChIInChI=1S/C11H23NO3/c1-3-11(14)5-4-6-12(7-9-13)8-10-15-2/h13H,3-10H2,1-2H3
InChIKeyHHFUCFCKYNLHCF-UHFFFAOYSA-N
XLogP0.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one
CID 106801251
2-[3-aminopropyl(2-methoxyethyl)amino]ethanol
CID 63287082
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
CID 55137663
2-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 130419260
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
1-[2-hydroxyethyl(6-nonoxyhexyl)amino]hexadecan-8-one
CID 170754920
2-[2-methoxyethyl(2-methylidenebutyl)amino]ethanol
CID 115897951
2-[3-(3,5-dimethylphenoxy)propyl-(2-methoxyethyl)amino]ethanol
CID 115613860
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
1,2-dimethoxyethane;pentan-3-one
CID 87877054

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one?
The IUPAC name of 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one (CID 106801581) is 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one.
What is the SMILES notation for 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one?
The canonical SMILES for 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one is CCC(=O)CCCN(CCO)CCOC.
What is the InChIKey of 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one?
The InChIKey is HHFUCFCKYNLHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-11(14)5-4-6-12(7-9-13)8-10-15-2/h13H,3-10H2,1-2H3.
What are the key properties of 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one?
6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one has a molecular weight of 217.31 g/mol, XLogP of 0.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one is sourced from PubChem (CID 106801581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).