1-(ethylamino)propan-2-one

C5H11NO — CID 20759975

IUPAC1-(ethylamino)propan-2-one
SMILESCCNCC(C)=O
InChIInChI=1S/C5H11NO/c1-3-6-4-5(2)7/h6H,3-4H2,1-2H3
InChIKeyOBPPXHYAIUTNAW-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.18
Rot. Bonds3

About 1-(ethylamino)propan-2-one

1-(ethylamino)propan-2-one (PubChem CID 20759975) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 1-(ethylamino)propan-2-one.

Molecular Properties

Compound Name1-(ethylamino)propan-2-one
PubChem CID20759975
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name1-(ethylamino)propan-2-one
SMILESCCNCC(C)=O
InChIInChI=1S/C5H11NO/c1-3-6-4-5(2)7/h6H,3-4H2,1-2H3
InChIKeyOBPPXHYAIUTNAW-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)propan-2-one?
The IUPAC name of 1-(ethylamino)propan-2-one (CID 20759975) is 1-(ethylamino)propan-2-one.
What is the SMILES notation for 1-(ethylamino)propan-2-one?
The canonical SMILES for 1-(ethylamino)propan-2-one is CCNCC(C)=O.
What is the InChIKey of 1-(ethylamino)propan-2-one?
The InChIKey is OBPPXHYAIUTNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-6-4-5(2)7/h6H,3-4H2,1-2H3.
What are the key properties of 1-(ethylamino)propan-2-one?
1-(ethylamino)propan-2-one has a molecular weight of 101.15 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)propan-2-one is sourced from PubChem (CID 20759975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).