1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one

C11H19N3O — CID 62880868

IUPAC1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one
SMILESCN(C)CCNCCn1ccc(=O)cc1
InChIInChI=1S/C11H19N3O/c1-13(2)9-5-12-6-10-14-7-3-11(15)4-8-14/h3-4,7-8,12H,5-6,9-10H2,1-2H3
InChIKeyLMVJFCJMQCZOTO-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.00
Rot. Bonds6

About 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one

1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one (PubChem CID 62880868) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one
PubChem CID62880868
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one
SMILESCN(C)CCNCCn1ccc(=O)cc1
InChIInChI=1S/C11H19N3O/c1-13(2)9-5-12-6-10-14-7-3-11(15)4-8-14/h3-4,7-8,12H,5-6,9-10H2,1-2H3
InChIKeyLMVJFCJMQCZOTO-UHFFFAOYSA-N
XLogP-0.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.00
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one?
The IUPAC name of 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one (CID 62880868) is 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one is CN(C)CCNCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one?
The InChIKey is LMVJFCJMQCZOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13(2)9-5-12-6-10-14-7-3-11(15)4-8-14/h3-4,7-8,12H,5-6,9-10H2,1-2H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one?
1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one has a molecular weight of 209.29 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethylamino]ethyl]pyridin-4-one is sourced from PubChem (CID 62880868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).