N-butyl-1-hydroxy-3-methylpyridin-4-imine

C10H16N2O — CID 130612804

IUPACN-butyl-1-hydroxy-3-methylpyridin-4-imine
SMILESCCCC/N=c1\ccn(O)cc1C
InChIInChI=1S/C10H16N2O/c1-3-4-6-11-10-5-7-12(13)8-9(10)2/h5,7-8,13H,3-4,6H2,1-2H3/b11-10+
InChIKeyLPIUZQRWBSTZJX-ZHACJKMWSA-N
MW180.25 g/mol
LogP1.73
Rot. Bonds3

About N-butyl-1-hydroxy-3-methylpyridin-4-imine

N-butyl-1-hydroxy-3-methylpyridin-4-imine (PubChem CID 130612804) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-butyl-1-hydroxy-3-methylpyridin-4-imine.

Molecular Properties

Compound NameN-butyl-1-hydroxy-3-methylpyridin-4-imine
PubChem CID130612804
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-butyl-1-hydroxy-3-methylpyridin-4-imine
SMILESCCCC/N=c1\ccn(O)cc1C
InChIInChI=1S/C10H16N2O/c1-3-4-6-11-10-5-7-12(13)8-9(10)2/h5,7-8,13H,3-4,6H2,1-2H3/b11-10+
InChIKeyLPIUZQRWBSTZJX-ZHACJKMWSA-N
XLogP1.73
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-hydroxy-3-methylpyridin-4-imine?
The IUPAC name of N-butyl-1-hydroxy-3-methylpyridin-4-imine (CID 130612804) is N-butyl-1-hydroxy-3-methylpyridin-4-imine.
What is the SMILES notation for N-butyl-1-hydroxy-3-methylpyridin-4-imine?
The canonical SMILES for N-butyl-1-hydroxy-3-methylpyridin-4-imine is CCCC/N=c1\ccn(O)cc1C.
What is the InChIKey of N-butyl-1-hydroxy-3-methylpyridin-4-imine?
The InChIKey is LPIUZQRWBSTZJX-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-6-11-10-5-7-12(13)8-9(10)2/h5,7-8,13H,3-4,6H2,1-2H3/b11-10+.
What are the key properties of N-butyl-1-hydroxy-3-methylpyridin-4-imine?
N-butyl-1-hydroxy-3-methylpyridin-4-imine has a molecular weight of 180.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-hydroxy-3-methylpyridin-4-imine is sourced from PubChem (CID 130612804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).