(2S,4S)-2,3,4-trimethyl-1,3-oxazinane

C7H15NO — CID 15939286

IUPAC(2S,4S)-2,3,4-trimethyl-1,3-oxazinane
SMILESC[C@@H]1OCC[C@H](C)N1C
InChIInChI=1S/C7H15NO/c1-6-4-5-9-7(2)8(6)3/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyKAPQSSCDRZRLJK-BQBZGAKWSA-N
MW129.20 g/mol
LogP1.07
Rot. Bonds

About (2S,4S)-2,3,4-trimethyl-1,3-oxazinane

(2S,4S)-2,3,4-trimethyl-1,3-oxazinane (PubChem CID 15939286) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2S,4S)-2,3,4-trimethyl-1,3-oxazinane.

Molecular Properties

Compound Name(2S,4S)-2,3,4-trimethyl-1,3-oxazinane
PubChem CID15939286
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2S,4S)-2,3,4-trimethyl-1,3-oxazinane
SMILESC[C@@H]1OCC[C@H](C)N1C
InChIInChI=1S/C7H15NO/c1-6-4-5-9-7(2)8(6)3/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyKAPQSSCDRZRLJK-BQBZGAKWSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-2,3,4-trimethyl-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,3,4-trimethyl-1,3-oxazinane?
The IUPAC name of (2S,4S)-2,3,4-trimethyl-1,3-oxazinane (CID 15939286) is (2S,4S)-2,3,4-trimethyl-1,3-oxazinane.
What is the SMILES notation for (2S,4S)-2,3,4-trimethyl-1,3-oxazinane?
The canonical SMILES for (2S,4S)-2,3,4-trimethyl-1,3-oxazinane is C[C@@H]1OCC[C@H](C)N1C.
What is the InChIKey of (2S,4S)-2,3,4-trimethyl-1,3-oxazinane?
The InChIKey is KAPQSSCDRZRLJK-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-5-9-7(2)8(6)3/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-2,3,4-trimethyl-1,3-oxazinane?
(2S,4S)-2,3,4-trimethyl-1,3-oxazinane has a molecular weight of 129.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,3,4-trimethyl-1,3-oxazinane is sourced from PubChem (CID 15939286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).