6-[bis(2-hydroxyethyl)amino]hexan-2-one

C10H21NO3 — CID 62050853

IUPAC6-[bis(2-hydroxyethyl)amino]hexan-2-one
SMILESCC(=O)CCCCN(CCO)CCO
InChIInChI=1S/C10H21NO3/c1-10(14)4-2-3-5-11(6-8-12)7-9-13/h12-13H,2-9H2,1H3
InChIKeyAVHLNNXZXPRWHM-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.03
Rot. Bonds9

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

6-[bis(2-hydroxyethyl)amino]hexan-2-one (PubChem CID 62050853) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-[bis(2-hydroxyethyl)amino]hexan-2-one.

Molecular Properties

Compound Name6-[bis(2-hydroxyethyl)amino]hexan-2-one
PubChem CID62050853
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name6-[bis(2-hydroxyethyl)amino]hexan-2-one
SMILESCC(=O)CCCCN(CCO)CCO
InChIInChI=1S/C10H21NO3/c1-10(14)4-2-3-5-11(6-8-12)7-9-13/h12-13H,2-9H2,1H3
InChIKeyAVHLNNXZXPRWHM-UHFFFAOYSA-N
XLogP0.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
6-[bis(3-methylbutyl)amino]hexan-2-one
CID 107870512
9-[2-hydroxyethyl-(8-hydroxy-8-nonoxyoctyl)amino]nonan-2-one
CID 171538856
2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide
CID 62921718
6-[ethyl(propyl)amino]hexan-2-one
CID 43792940
6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
CID 82329589
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
1-hydroxyoctane-2,7-dione
CID 19604643
21-hydroxyhenicosan-2-one
CID 153324955

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-hydroxyethyl)amino]hexan-2-one?
The IUPAC name of 6-[bis(2-hydroxyethyl)amino]hexan-2-one (CID 62050853) is 6-[bis(2-hydroxyethyl)amino]hexan-2-one.
What is the SMILES notation for 6-[bis(2-hydroxyethyl)amino]hexan-2-one?
The canonical SMILES for 6-[bis(2-hydroxyethyl)amino]hexan-2-one is CC(=O)CCCCN(CCO)CCO.
What is the InChIKey of 6-[bis(2-hydroxyethyl)amino]hexan-2-one?
The InChIKey is AVHLNNXZXPRWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(14)4-2-3-5-11(6-8-12)7-9-13/h12-13H,2-9H2,1H3.
What are the key properties of 6-[bis(2-hydroxyethyl)amino]hexan-2-one?
6-[bis(2-hydroxyethyl)amino]hexan-2-one has a molecular weight of 203.28 g/mol, XLogP of 0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-hydroxyethyl)amino]hexan-2-one is sourced from PubChem (CID 62050853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).