(2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol

C9H19NO2 — CID 67573931

IUPAC(2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol
SMILESC[C@@H]1OCC[C@](C)(O)[C@@H]1N(C)C
InChIInChI=1S/C9H19NO2/c1-7-8(10(3)4)9(2,11)5-6-12-7/h7-8,11H,5-6H2,1-4H3/t7-,8+,9-/m0/s1
InChIKeyWZZRQTCDSSXYMI-YIZRAAEISA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds1

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

(2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol (PubChem CID 67573931) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol
PubChem CID67573931
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol
SMILESC[C@@H]1OCC[C@](C)(O)[C@@H]1N(C)C
InChIInChI=1S/C9H19NO2/c1-7-8(10(3)4)9(2,11)5-6-12-7/h7-8,11H,5-6H2,1-4H3/t7-,8+,9-/m0/s1
InChIKeyWZZRQTCDSSXYMI-YIZRAAEISA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol?
The IUPAC name of (2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol (CID 67573931) is (2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol.
What is the SMILES notation for (2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol?
The canonical SMILES for (2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol is C[C@@H]1OCC[C@](C)(O)[C@@H]1N(C)C.
What is the InChIKey of (2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol?
The InChIKey is WZZRQTCDSSXYMI-YIZRAAEISA-N. The full InChI is InChI=1S/C9H19NO2/c1-7-8(10(3)4)9(2,11)5-6-12-7/h7-8,11H,5-6H2,1-4H3/t7-,8+,9-/m0/s1.
What are the key properties of (2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol?
(2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol is sourced from PubChem (CID 67573931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).