4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol

C14H23N3O2 — CID 114953250

IUPAC4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
SMILESCNc1cc(CN(C)CC2(O)CCOCC2)ccn1
InChIInChI=1S/C14H23N3O2/c1-15-13-9-12(3-6-16-13)10-17(2)11-14(18)4-7-19-8-5-14/h3,6,9,18H,4-5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyBZXHEJGVYACWDJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.10
Rot. Bonds5

About 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol

4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol (PubChem CID 114953250) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
PubChem CID114953250
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
SMILESCNc1cc(CN(C)CC2(O)CCOCC2)ccn1
InChIInChI=1S/C14H23N3O2/c1-15-13-9-12(3-6-16-13)10-17(2)11-14(18)4-7-19-8-5-14/h3,6,9,18H,4-5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyBZXHEJGVYACWDJ-UHFFFAOYSA-N
XLogP1.10
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[cyclopropyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62472223
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
4-[[2-methoxyethyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62466112
4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol
CID 125013514
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol
CID 114953269
4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471655
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952785

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol (CID 114953250) is 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol is CNc1cc(CN(C)CC2(O)CCOCC2)ccn1.
What is the InChIKey of 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol?
The InChIKey is BZXHEJGVYACWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-15-13-9-12(3-6-16-13)10-17(2)11-14(18)4-7-19-8-5-14/h3,6,9,18H,4-5,7-8,10-11H2,1-2H3,(H,15,16).
What are the key properties of 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol?
4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol has a molecular weight of 265.36 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114953250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).