1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol

C11H23NO3 — CID 62392254

IUPAC1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CC1(CO)CCOCC1
InChIInChI=1S/C11H23NO3/c1-10(14)7-12(2)8-11(9-13)3-5-15-6-4-11/h10,13-14H,3-9H2,1-2H3
InChIKeyNUKWHLMRCIPQGF-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.09
Rot. Bonds5

About 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol

1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol (PubChem CID 62392254) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol
PubChem CID62392254
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CC1(CO)CCOCC1
InChIInChI=1S/C11H23NO3/c1-10(14)7-12(2)8-11(9-13)3-5-15-6-4-11/h10,13-14H,3-9H2,1-2H3
InChIKeyNUKWHLMRCIPQGF-UHFFFAOYSA-N
XLogP0.09
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol with MolForge

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Related Compounds

{4-[(Dimethylamino)methyl]oxan-4-yl}methanol
CID 62390668
[4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol
CID 55067392
[4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol
CID 62390317
[4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methanol
CID 62391373
[4-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-yl]methanol
CID 65532242
2-[2,2-Difluoroethyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol
CID 113965212
2-[[4-(Hydroxymethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113965223
[4-[[2,2-Difluoroethyl(methyl)amino]methyl]oxan-4-yl]methanol
CID 116317784
(4-{[methyl(tetrahydrofuran-3-ylmethyl)amino]methyl}tetrahydro-2H-pyran-4-yl)methanol
CID 50985582
2-[4-Methyl-4-(propan-2-yloxymethyl)piperidin-1-yl]ethanol
CID 58303691
2-[4-Methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanol
CID 58365069
(5S,6R)-8-methyl-2-oxa-8-azaspiro[4.5]decan-6-ol
CID 58697518

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol (CID 62392254) is 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol is CC(O)CN(C)CC1(CO)CCOCC1.
What is the InChIKey of 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol?
The InChIKey is NUKWHLMRCIPQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(14)7-12(2)8-11(9-13)3-5-15-6-4-11/h10,13-14H,3-9H2,1-2H3.
What are the key properties of 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol?
1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62392254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).