5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol

C13H22N2O2 — CID 107200886

IUPAC5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
SMILESC[C@@H](O)c1ccc(N(C)CCCCCO)nc1
InChIInChI=1S/C13H22N2O2/c1-11(17)12-6-7-13(14-10-12)15(2)8-4-3-5-9-16/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyBCONKKBBRJLDSB-LLVKDONJSA-N
MW238.33 g/mol
LogP1.73
Rot. Bonds7

About 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol

5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol (PubChem CID 107200886) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
PubChem CID107200886
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
SMILESC[C@@H](O)c1ccc(N(C)CCCCCO)nc1
InChIInChI=1S/C13H22N2O2/c1-11(17)12-6-7-13(14-10-12)15(2)8-4-3-5-9-16/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyBCONKKBBRJLDSB-LLVKDONJSA-N
XLogP1.73
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.73
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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Related Compounds

3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
5-[(5-aminopyrazin-2-yl)-methylamino]pentan-1-ol
CID 107207397
5-[2-fluoro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]pentan-1-ol
CID 107200857
2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104864024
1-[[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985489
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
CID 107198062
(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
CID 104869570
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
5-[(6-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107203397
5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine
CID 104869689
1-(6-ethyl-3-pyridinyl)ethanol
CID 88974864
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol (CID 107200886) is 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol is C[C@@H](O)c1ccc(N(C)CCCCCO)nc1.
What is the InChIKey of 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol?
The InChIKey is BCONKKBBRJLDSB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(17)12-6-7-13(14-10-12)15(2)8-4-3-5-9-16/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol?
5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107200886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).