3-[2-ethoxyethyl(methyl)amino]butan-2-one

C9H19NO2 — CID 81057001

IUPAC3-[2-ethoxyethyl(methyl)amino]butan-2-one
SMILESCCOCCN(C)C(C)C(C)=O
InChIInChI=1S/C9H19NO2/c1-5-12-7-6-10(4)8(2)9(3)11/h8H,5-7H2,1-4H3
InChIKeyMFCSGLUUHHGMTC-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.93
Rot. Bonds6

About 3-[2-ethoxyethyl(methyl)amino]butan-2-one

3-[2-ethoxyethyl(methyl)amino]butan-2-one (PubChem CID 81057001) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]butan-2-one.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]butan-2-one
PubChem CID81057001
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[2-ethoxyethyl(methyl)amino]butan-2-one
SMILESCCOCCN(C)C(C)C(C)=O
InChIInChI=1S/C9H19NO2/c1-5-12-7-6-10(4)8(2)9(3)11/h8H,5-7H2,1-4H3
InChIKeyMFCSGLUUHHGMTC-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[methyl(propyl)amino]butan-2-one
CID 93295226
ethane;(3S)-3-[methyl(propyl)amino]butan-2-one
CID 166155780
2-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 81055981
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
ethane;3-[ethyl(methyl)amino]butan-2-one
CID 177194341
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanamide
CID 81061651
4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide
CID 81059610
4-[2-ethoxyethyl(ethyl)amino]pentan-2-one
CID 64696903
1-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057911
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 81061737

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]butan-2-one?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]butan-2-one (CID 81057001) is 3-[2-ethoxyethyl(methyl)amino]butan-2-one.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]butan-2-one?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]butan-2-one is CCOCCN(C)C(C)C(C)=O.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]butan-2-one?
The InChIKey is MFCSGLUUHHGMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-12-7-6-10(4)8(2)9(3)11/h8H,5-7H2,1-4H3.
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]butan-2-one?
3-[2-ethoxyethyl(methyl)amino]butan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(methyl)amino]butan-2-one is sourced from PubChem (CID 81057001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).