(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane

C11H25NO3 — CID 145399800

IUPAC(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
SMILESCC.CO[C@H]1[C@H](O)O[C@H](C)C[C@@H]1N(C)C
InChIInChI=1S/C9H19NO3.C2H6/c1-6-5-7(10(2)3)8(12-4)9(11)13-6;1-2/h6-9,11H,5H2,1-4H3;1-2H3/t6-,7+,8-,9-;/m1./s1
InChIKeySJFZFPIJEZITNR-LXZWUTDNSA-N
MW219.32 g/mol
LogP1.09
Rot. Bonds2

About (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane

(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane (PubChem CID 145399800) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane.

Molecular Properties

Compound Name(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
PubChem CID145399800
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
SMILESCC.CO[C@H]1[C@H](O)O[C@H](C)C[C@@H]1N(C)C
InChIInChI=1S/C9H19NO3.C2H6/c1-6-5-7(10(2)3)8(12-4)9(11)13-6;1-2/h6-9,11H,5H2,1-4H3;1-2H3/t6-,7+,8-,9-;/m1./s1
InChIKeySJFZFPIJEZITNR-LXZWUTDNSA-N
XLogP1.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane with MolForge

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Related Compounds

[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
(2R,4R)-3,4-dimethoxy-6-methyloxan-2-ol
CID 129044548
(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
CID 165025782
(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde
CID 142966665
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol
CID 142172396
(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
CID 143366374
ethane;2-methoxy-N,N,6-trimethyloxan-4-amine
CID 143454744
[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate
CID 145284278
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol
CID 144590904

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane?
The IUPAC name of (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane (CID 145399800) is (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane.
What is the SMILES notation for (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane?
The canonical SMILES for (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane is CC.CO[C@H]1[C@H](O)O[C@H](C)C[C@@H]1N(C)C.
What is the InChIKey of (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane?
The InChIKey is SJFZFPIJEZITNR-LXZWUTDNSA-N. The full InChI is InChI=1S/C9H19NO3.C2H6/c1-6-5-7(10(2)3)8(12-4)9(11)13-6;1-2/h6-9,11H,5H2,1-4H3;1-2H3/t6-,7+,8-,9-;/m1./s1.
What are the key properties of (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane?
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane has a molecular weight of 219.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane is sourced from PubChem (CID 145399800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).