4-(ethylamino)-1-methoxybutan-2-one

C7H15NO2 — CID 116565746

IUPAC4-(ethylamino)-1-methoxybutan-2-one
SMILESCCNCCC(=O)COC
InChIInChI=1S/C7H15NO2/c1-3-8-5-4-7(9)6-10-2/h8H,3-6H2,1-2H3
InChIKeyKZZHELXOEXOSNH-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.20
Rot. Bonds6

About 4-(ethylamino)-1-methoxybutan-2-one

4-(ethylamino)-1-methoxybutan-2-one (PubChem CID 116565746) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-(ethylamino)-1-methoxybutan-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-methoxybutan-2-one
PubChem CID116565746
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-(ethylamino)-1-methoxybutan-2-one
SMILESCCNCCC(=O)COC
InChIInChI=1S/C7H15NO2/c1-3-8-5-4-7(9)6-10-2/h8H,3-6H2,1-2H3
InChIKeyKZZHELXOEXOSNH-UHFFFAOYSA-N
XLogP0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxyheptane-2,5-dione
CID 12648673
3-methoxypropyl 3-(ethylamino)propanoate
CID 62327444
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
5-methoxy-4-oxopentanoic acid
CID 66337896
1-methoxydecan-2-one
CID 10352423
7-(3-aminopropylamino)-1-methoxyheptan-2-one
CID 71726578
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
1-methoxy-5-(propan-2-ylamino)pentan-2-one
CID 116558145
ethane;3-(ethylamino)propanamide
CID 156743022
acetaldehyde;1-methoxybutan-2-one
CID 144521469
methyl 4-(ethylamino)butanoate;dihydrochloride
CID 174870876

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-methoxybutan-2-one?
The IUPAC name of 4-(ethylamino)-1-methoxybutan-2-one (CID 116565746) is 4-(ethylamino)-1-methoxybutan-2-one.
What is the SMILES notation for 4-(ethylamino)-1-methoxybutan-2-one?
The canonical SMILES for 4-(ethylamino)-1-methoxybutan-2-one is CCNCCC(=O)COC.
What is the InChIKey of 4-(ethylamino)-1-methoxybutan-2-one?
The InChIKey is KZZHELXOEXOSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-8-5-4-7(9)6-10-2/h8H,3-6H2,1-2H3.
What are the key properties of 4-(ethylamino)-1-methoxybutan-2-one?
4-(ethylamino)-1-methoxybutan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-methoxybutan-2-one is sourced from PubChem (CID 116565746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).