3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol

C11H16N2O2 — CID 103847710

IUPAC3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
SMILESCc1ccc(NCC2(O)CCOC2)nc1
InChIInChI=1S/C11H16N2O2/c1-9-2-3-10(12-6-9)13-7-11(14)4-5-15-8-11/h2-3,6,14H,4-5,7-8H2,1H3,(H,12,13)
InChIKeyLENXAFJYAURHNL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds3

About 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol

3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol (PubChem CID 103847710) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
PubChem CID103847710
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
SMILESCc1ccc(NCC2(O)CCOC2)nc1
InChIInChI=1S/C11H16N2O2/c1-9-2-3-10(12-6-9)13-7-11(14)4-5-15-8-11/h2-3,6,14H,4-5,7-8H2,1H3,(H,12,13)
InChIKeyLENXAFJYAURHNL-UHFFFAOYSA-N
XLogP0.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114143616
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol
CID 103847712
2-[(3-hydroxyoxolan-3-yl)methylamino]-5-methylbenzoic acid
CID 106101904
3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106102152
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102670
N-[(1-ethylcyclopropyl)methyl]-5-methylpyridin-2-amine
CID 103736819
3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 154751499
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
3-[[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]methyl]oxolan-3-ol
CID 106099457
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
CID 104925043

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol (CID 103847710) is 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol is Cc1ccc(NCC2(O)CCOC2)nc1.
What is the InChIKey of 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol?
The InChIKey is LENXAFJYAURHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-2-3-10(12-6-9)13-7-11(14)4-5-15-8-11/h2-3,6,14H,4-5,7-8H2,1H3,(H,12,13).
What are the key properties of 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol?
3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol has a molecular weight of 208.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 103847710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).