4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol

C13H27NO2 — CID 167098136

IUPAC4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
SMILESCCC(C)(C)C1OC(C)CC(N(C)C)C1O
InChIInChI=1S/C13H27NO2/c1-7-13(3,4)12-11(15)10(14(5)6)8-9(2)16-12/h9-12,15H,7-8H2,1-6H3
InChIKeyXIQPFIMKARUZHQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.89
Rot. Bonds3

About 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol

4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol (PubChem CID 167098136) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol.

Molecular Properties

Compound Name4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
PubChem CID167098136
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
SMILESCCC(C)(C)C1OC(C)CC(N(C)C)C1O
InChIInChI=1S/C13H27NO2/c1-7-13(3,4)12-11(15)10(14(5)6)8-9(2)16-12/h9-12,15H,7-8H2,1-6H3
InChIKeyXIQPFIMKARUZHQ-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol
CID 14139769
(2S,4S,5R,6R)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 57130951
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 90658743
(3S)-4-(dimethylamino)-6-methyloxan-3-ol
CID 89038501
2-tert-butyl-6-methyloxane-3,4-diol
CID 20758663
[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
CID 143366374
(3aR,4R,5S,6S,7aS)-6-(dimethylamino)-4-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol
CID 7648348
(3aS,4R,5R,6S,7aR)-6-(dimethylamino)-4-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol
CID 11911013
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol?
The IUPAC name of 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol (CID 167098136) is 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol.
What is the SMILES notation for 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol?
The canonical SMILES for 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol is CCC(C)(C)C1OC(C)CC(N(C)C)C1O.
What is the InChIKey of 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol?
The InChIKey is XIQPFIMKARUZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-13(3,4)12-11(15)10(14(5)6)8-9(2)16-12/h9-12,15H,7-8H2,1-6H3.
What are the key properties of 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol?
4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol has a molecular weight of 229.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol is sourced from PubChem (CID 167098136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).