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

C11H23NO3 — CID 104554785

IUPAC2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)CC1(CO)CCOCC1
InChIInChI=1S/C11H23NO3/c1-10(7-13)12(2)8-11(9-14)3-5-15-6-4-11/h10,13-14H,3-9H2,1-2H3
InChIKeySTQJRUJRCAIYTR-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.09
Rot. Bonds5

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

2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol (PubChem CID 104554785) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol
PubChem CID104554785
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)CC1(CO)CCOCC1
InChIInChI=1S/C11H23NO3/c1-10(7-13)12(2)8-11(9-14)3-5-15-6-4-11/h10,13-14H,3-9H2,1-2H3
InChIKeySTQJRUJRCAIYTR-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

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Related Compounds

1-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-2-ol
CID 62392254
[1-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclopentyl]methanol
CID 62266180
[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxan-4-yl]methanethiol
CID 112667555
[4-[[methyl(pentyl)amino]methyl]oxan-4-yl]methanol
CID 62391542
2-[methyl-[[3-[(2-methylpropylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 104554673
3-[[4-(bromomethyl)oxan-4-yl]methyl-methylamino]butanenitrile
CID 65004460
[4-(2-methylbutyl)oxan-4-yl]methanol
CID 66024312
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N,3-dimethylbutan-2-amine
CID 65004499
[3-[(dimethylamino)methyl]oxolan-3-yl]methanol
CID 62270559
[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanol
CID 105417449
[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
CID 62271498

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol (CID 104554785) is 2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol is CC(CO)N(C)CC1(CO)CCOCC1.
What is the InChIKey of 2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol?
The InChIKey is STQJRUJRCAIYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(7-13)12(2)8-11(9-14)3-5-15-6-4-11/h10,13-14H,3-9H2,1-2H3.
What are the key properties of 2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol?
2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-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 2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 104554785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).