(2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol

C10H21NO2 — CID 134859153

IUPAC(2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol
SMILESC[C@@H]1O[C@@H](C)C[C@](C)(O)[C@@H]1N(C)C
InChIInChI=1S/C10H21NO2/c1-7-6-10(3,12)9(11(4)5)8(2)13-7/h7-9,12H,6H2,1-5H3/t7-,8-,9+,10-/m0/s1
InChIKeyGRUISXHUJGJCGT-QEYWKRMJSA-N
MW187.28 g/mol
LogP0.86
Rot. Bonds1

About (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol

(2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol (PubChem CID 134859153) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol
PubChem CID134859153
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol
SMILESC[C@@H]1O[C@@H](C)C[C@](C)(O)[C@@H]1N(C)C
InChIInChI=1S/C10H21NO2/c1-7-6-10(3,12)9(11(4)5)8(2)13-7/h7-9,12H,6H2,1-5H3/t7-,8-,9+,10-/m0/s1
InChIKeyGRUISXHUJGJCGT-QEYWKRMJSA-N
XLogP0.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol?
The IUPAC name of (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol (CID 134859153) is (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol.
What is the SMILES notation for (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol?
The canonical SMILES for (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol is C[C@@H]1O[C@@H](C)C[C@](C)(O)[C@@H]1N(C)C.
What is the InChIKey of (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol?
The InChIKey is GRUISXHUJGJCGT-QEYWKRMJSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7-6-10(3,12)9(11(4)5)8(2)13-7/h7-9,12H,6H2,1-5H3/t7-,8-,9+,10-/m0/s1.
What are the key properties of (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol?
(2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol has a molecular weight of 187.28 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-3-(dimethylamino)-2,4,6-trimethyloxan-4-ol is sourced from PubChem (CID 134859153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).