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

C10H17ClN2O2 — CID 86262383

IUPAC4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride
SMILESCc1cc(OCCCN)cc(=O)n1C.Cl
InChIInChI=1S/C10H16N2O2.ClH/c1-8-6-9(14-5-3-4-11)7-10(13)12(8)2;/h6-7H,3-5,11H2,1-2H3;1H
InChIKeyVYBLLDKDBDOTIG-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.84
Rot. Bonds4

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

4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride (PubChem CID 86262383) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride
PubChem CID86262383
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride
SMILESCc1cc(OCCCN)cc(=O)n1C.Cl
InChIInChI=1S/C10H16N2O2.ClH/c1-8-6-9(14-5-3-4-11)7-10(13)12(8)2;/h6-7H,3-5,11H2,1-2H3;1H
InChIKeyVYBLLDKDBDOTIG-UHFFFAOYSA-N
XLogP0.84
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.84
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;hydrochloride?
The IUPAC name of 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride (CID 86262383) is 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride?
The canonical SMILES for 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride is Cc1cc(OCCCN)cc(=O)n1C.Cl.
What is the InChIKey of 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride?
The InChIKey is VYBLLDKDBDOTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.ClH/c1-8-6-9(14-5-3-4-11)7-10(13)12(8)2;/h6-7H,3-5,11H2,1-2H3;1H.
What are the key properties of 4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride?
4-(3-aminopropoxy)-1,6-dimethylpyridin-2-one;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 0.84, 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;hydrochloride is sourced from PubChem (CID 86262383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).