1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one

C13H22N2O2 — CID 62880867

IUPAC1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one
SMILESCC(C)OCCCNCCn1ccc(=O)cc1
InChIInChI=1S/C13H22N2O2/c1-12(2)17-11-3-6-14-7-10-15-8-4-13(16)5-9-15/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3
InChIKeyIJGKGOTXVQYDNX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.25
Rot. Bonds8

About 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one

1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one (PubChem CID 62880867) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one
PubChem CID62880867
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one
SMILESCC(C)OCCCNCCn1ccc(=O)cc1
InChIInChI=1S/C13H22N2O2/c1-12(2)17-11-3-6-14-7-10-15-8-4-13(16)5-9-15/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3
InChIKeyIJGKGOTXVQYDNX-UHFFFAOYSA-N
XLogP1.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.25
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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Related Compounds

1-[2-(2-Butoxyethylamino)ethyl]pyridin-4-one
CID 55127759
1-[2-(Propylamino)ethyl]pyridin-4-one
CID 62879483
1-[2-(4-Ethoxybutylamino)ethyl]pyridin-4-one
CID 62880701
1-[2-(3-Ethoxypropylamino)ethyl]pyridin-4-one
CID 62880862
1-[2-[2-(Dimethylamino)ethylamino]ethyl]pyridin-4-one
CID 62880868
1-[2-(3-Methoxypropylamino)ethyl]pyridin-4-one
CID 62880879
1-[2-[2-(Diethylamino)ethylamino]ethyl]pyridin-4-one
CID 62881030
1-[2-[3-(Dimethylamino)propylamino]ethyl]pyridin-4-one
CID 62881031
1-[2-(2-Methoxyethylamino)ethyl]pyridin-4-one
CID 62881033
1-[3-(2-Methoxyethylamino)propyl]pyridin-4-one
CID 62881035
1-[4-(2-Methoxyethylamino)butyl]pyridin-4-one
CID 62881039
1-[2-(2-Ethoxyethylamino)ethyl]pyridin-4-one
CID 62881044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one (CID 62880867) is 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one is CC(C)OCCCNCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one?
The InChIKey is IJGKGOTXVQYDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(2)17-11-3-6-14-7-10-15-8-4-13(16)5-9-15/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one?
1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one has a molecular weight of 238.33 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-yloxypropylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 62880867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).