4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one

C10H16N2O2 — CID 86262384

IUPAC4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one
SMILESCc1cc(OCCCN)cc(=O)n1C
InChIInChI=1S/C10H16N2O2/c1-8-6-9(14-5-3-4-11)7-10(13)12(8)2/h6-7H,3-5,11H2,1-2H3
InChIKeyBFRKRCSVAKBTPO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.42
Rot. Bonds4

About 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one

4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one (PubChem CID 86262384) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one
PubChem CID86262384
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one
SMILESCc1cc(OCCCN)cc(=O)n1C
InChIInChI=1S/C10H16N2O2/c1-8-6-9(14-5-3-4-11)7-10(13)12(8)2/h6-7H,3-5,11H2,1-2H3
InChIKeyBFRKRCSVAKBTPO-UHFFFAOYSA-N
XLogP0.42
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.42
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 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one (CID 86262384) is 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one is Cc1cc(OCCCN)cc(=O)n1C.
What is the InChIKey of 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one?
The InChIKey is BFRKRCSVAKBTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-6-9(14-5-3-4-11)7-10(13)12(8)2/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one?
4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86262384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).