4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one

C9H19NO3 — CID 59450621

IUPAC4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
SMILESCNCCOCCOCCC(C)=O
InChIInChI=1S/C9H19NO3/c1-9(11)3-5-12-7-8-13-6-4-10-2/h10H,3-8H2,1-2H3
InChIKeyDIJYSEGAZPEJSW-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.22
Rot. Bonds9

About 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one

4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one (PubChem CID 59450621) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
PubChem CID59450621
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
SMILESCNCCOCCOCCC(C)=O
InChIInChI=1S/C9H19NO3/c1-9(11)3-5-12-7-8-13-6-4-10-2/h10H,3-8H2,1-2H3
InChIKeyDIJYSEGAZPEJSW-UHFFFAOYSA-N
XLogP0.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one
CID 137458388
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
4-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 177194352
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
2-(3-oxobutoxy)ethylurea
CID 176664573

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one?
The IUPAC name of 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one (CID 59450621) is 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one is CNCCOCCOCCC(C)=O.
What is the InChIKey of 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one?
The InChIKey is DIJYSEGAZPEJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(11)3-5-12-7-8-13-6-4-10-2/h10H,3-8H2,1-2H3.
What are the key properties of 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one?
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one has a molecular weight of 189.25 g/mol, XLogP of 0.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 59450621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).