ethane;6-methyl-4-(methylamino)oxan-2-ol

C9H21NO2 — CID 143053528

IUPACethane;6-methyl-4-(methylamino)oxan-2-ol
SMILESCC.CNC1CC(C)OC(O)C1
InChIInChI=1S/C7H15NO2.C2H6/c1-5-3-6(8-2)4-7(9)10-5;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyLWVOFCNGVGIFIF-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.12
Rot. Bonds1

About ethane;6-methyl-4-(methylamino)oxan-2-ol

ethane;6-methyl-4-(methylamino)oxan-2-ol (PubChem CID 143053528) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;6-methyl-4-(methylamino)oxan-2-ol.

Molecular Properties

Compound Nameethane;6-methyl-4-(methylamino)oxan-2-ol
PubChem CID143053528
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;6-methyl-4-(methylamino)oxan-2-ol
SMILESCC.CNC1CC(C)OC(O)C1
InChIInChI=1S/C7H15NO2.C2H6/c1-5-3-6(8-2)4-7(9)10-5;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyLWVOFCNGVGIFIF-UHFFFAOYSA-N
XLogP1.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4,6-dimethyloxan-2-ol
CID 142116366
2-[(2S,4R,6S)-6-methyl-4-(methylamino)oxan-2-yl]acetic acid
CID 143332781
oxetane-2,4-diol
CID 20682895
5-(methylamino)cyclohexane-1,3-diol
CID 69462878
(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
CID 97358274
(2R,5S)-5-methyloxolan-2-ol
CID 23253384
[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid
CID 143853528
(6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol
CID 143853511
7-(methylamino)-3-oxabicyclo[3.3.1]nonan-9-ol
CID 118473848
ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
CID 156740552
2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol
CID 97358385
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-4-(methylamino)oxan-2-ol?
The IUPAC name of ethane;6-methyl-4-(methylamino)oxan-2-ol (CID 143053528) is ethane;6-methyl-4-(methylamino)oxan-2-ol.
What is the SMILES notation for ethane;6-methyl-4-(methylamino)oxan-2-ol?
The canonical SMILES for ethane;6-methyl-4-(methylamino)oxan-2-ol is CC.CNC1CC(C)OC(O)C1.
What is the InChIKey of ethane;6-methyl-4-(methylamino)oxan-2-ol?
The InChIKey is LWVOFCNGVGIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-5-3-6(8-2)4-7(9)10-5;1-2/h5-9H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;6-methyl-4-(methylamino)oxan-2-ol?
ethane;6-methyl-4-(methylamino)oxan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-4-(methylamino)oxan-2-ol is sourced from PubChem (CID 143053528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).