3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one

C11H18N2O2 — CID 84677856

IUPAC3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1ccc(=O)c(OCCCN)c1
InChIInChI=1S/C11H18N2O2/c1-9(2)13-6-4-10(14)11(8-13)15-7-3-5-12/h4,6,8-9H,3,5,7,12H2,1-2H3
InChIKeyMIFYCPYKEHMVPF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.16
Rot. Bonds5

About 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one

3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one (PubChem CID 84677856) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one
PubChem CID84677856
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1ccc(=O)c(OCCCN)c1
InChIInChI=1S/C11H18N2O2/c1-9(2)13-6-4-10(14)11(8-13)15-7-3-5-12/h4,6,8-9H,3,5,7,12H2,1-2H3
InChIKeyMIFYCPYKEHMVPF-UHFFFAOYSA-N
XLogP1.16
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.16
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 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one?
The IUPAC name of 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one (CID 84677856) is 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one is CC(C)n1ccc(=O)c(OCCCN)c1.
What is the InChIKey of 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one?
The InChIKey is MIFYCPYKEHMVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)13-6-4-10(14)11(8-13)15-7-3-5-12/h4,6,8-9H,3,5,7,12H2,1-2H3.
What are the key properties of 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one?
3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 84677856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).