4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol

C15H24N2O3 — CID 114952384

IUPAC4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol
SMILESCc1cc(C)c(CO)c(N(C)CC2(O)CCOCC2)n1
InChIInChI=1S/C15H24N2O3/c1-11-8-12(2)16-14(13(11)9-18)17(3)10-15(19)4-6-20-7-5-15/h8,18-19H,4-7,9-10H2,1-3H3
InChIKeyOWEDSLKDIJETLV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.17
Rot. Bonds4

About 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol

4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114952384) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol
PubChem CID114952384
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol
SMILESCc1cc(C)c(CO)c(N(C)CC2(O)CCOCC2)n1
InChIInChI=1S/C15H24N2O3/c1-11-8-12(2)16-14(13(11)9-18)17(3)10-15(19)4-6-20-7-5-15/h8,18-19H,4-7,9-10H2,1-3H3
InChIKeyOWEDSLKDIJETLV-UHFFFAOYSA-N
XLogP1.17
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947854
4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
CID 114952231
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
[2-[cyclopentylmethyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 63631450
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954173
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 102687057
[2-[cyclopentyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61256024
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
[2-[cyclohexyl(methyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61252783
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
CID 114952374

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol (CID 114952384) is 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol is Cc1cc(C)c(CO)c(N(C)CC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is OWEDSLKDIJETLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-8-12(2)16-14(13(11)9-18)17(3)10-15(19)4-6-20-7-5-15/h8,18-19H,4-7,9-10H2,1-3H3.
What are the key properties of 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol?
4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 280.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114952384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).