1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride

C19H28Cl2N2O2 — CID 162665096

IUPAC1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride
SMILESCc1c(O)c(=O)ccn1CCCCCCNCc1ccccc1.Cl.Cl
InChIInChI=1S/C19H26N2O2.2ClH/c1-16-19(23)18(22)11-14-21(16)13-8-3-2-7-12-20-15-17-9-5-4-6-10-17;;/h4-6,9-11,14,20,23H,2-3,7-8,12-13,15H2,1H3;2*1H
InChIKeyIROCZBKMAXIZCU-UHFFFAOYSA-N
MW387.35 g/mol
LogP4.06
Rot. Bonds9

About 1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride

1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride (PubChem CID 162665096) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride
PubChem CID162665096
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC Name1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride
SMILESCc1c(O)c(=O)ccn1CCCCCCNCc1ccccc1.Cl.Cl
InChIInChI=1S/C19H26N2O2.2ClH/c1-16-19(23)18(22)11-14-21(16)13-8-3-2-7-12-20-15-17-9-5-4-6-10-17;;/h4-6,9-11,14,20,23H,2-3,7-8,12-13,15H2,1H3;2*1H
InChIKeyIROCZBKMAXIZCU-UHFFFAOYSA-N
XLogP4.06
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
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-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride?
The IUPAC name of 1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride (CID 162665096) is 1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride.
What is the SMILES notation for 1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride?
The canonical SMILES for 1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride is Cc1c(O)c(=O)ccn1CCCCCCNCc1ccccc1.Cl.Cl.
What is the InChIKey of 1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride?
The InChIKey is IROCZBKMAXIZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.2ClH/c1-16-19(23)18(22)11-14-21(16)13-8-3-2-7-12-20-15-17-9-5-4-6-10-17;;/h4-6,9-11,14,20,23H,2-3,7-8,12-13,15H2,1H3;2*1H.
What are the key properties of 1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride?
1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride has a molecular weight of 387.35 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(benzylamino)hexyl]-3-hydroxy-2-methylpyridin-4-one;dihydrochloride is sourced from PubChem (CID 162665096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).