5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol

C12H20N2O2 — CID 107203261

IUPAC5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol
SMILESCOc1cc(N(C)CCCCCO)ccn1
InChIInChI=1S/C12H20N2O2/c1-14(8-4-3-5-9-15)11-6-7-13-12(10-11)16-2/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyAANBBSOZIRDUEM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.69
Rot. Bonds7

About 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol

5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol (PubChem CID 107203261) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol
PubChem CID107203261
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol
SMILESCOc1cc(N(C)CCCCCO)ccn1
InChIInChI=1S/C12H20N2O2/c1-14(8-4-3-5-9-15)11-6-7-13-12(10-11)16-2/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyAANBBSOZIRDUEM-UHFFFAOYSA-N
XLogP1.69
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.69
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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Related Compounds

5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol
CID 107207562
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol
CID 102868917
[4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol
CID 63700089
3-(3,4-dichloro-N-methylanilino)propan-1-ol
CID 82116339
1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone
CID 107200376
2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
CID 107200479
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203383
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol (CID 107203261) is 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol is COc1cc(N(C)CCCCCO)ccn1.
What is the InChIKey of 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol?
The InChIKey is AANBBSOZIRDUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(8-4-3-5-9-15)11-6-7-13-12(10-11)16-2/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol?
5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107203261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).