1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one

C12H20N2O — CID 20605483

IUPAC1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one
SMILESCCNCCn1cccc(C(C)C)c1=O
InChIInChI=1S/C12H20N2O/c1-4-13-7-9-14-8-5-6-11(10(2)3)12(14)15/h5-6,8,10,13H,4,7,9H2,1-3H3
InChIKeyPWKDXQDCNRGVPM-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.58
Rot. Bonds5

About 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one

1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one (PubChem CID 20605483) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one
PubChem CID20605483
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one
SMILESCCNCCn1cccc(C(C)C)c1=O
InChIInChI=1S/C12H20N2O/c1-4-13-7-9-14-8-5-6-11(10(2)3)12(14)15/h5-6,8,10,13H,4,7,9H2,1-3H3
InChIKeyPWKDXQDCNRGVPM-UHFFFAOYSA-N
XLogP1.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one (CID 20605483) is 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one is CCNCCn1cccc(C(C)C)c1=O.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one?
The InChIKey is PWKDXQDCNRGVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-13-7-9-14-8-5-6-11(10(2)3)12(14)15/h5-6,8,10,13H,4,7,9H2,1-3H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one?
1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 20605483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).