(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine

C10H20N2O2 — CID 139225414

IUPAC(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
SMILESCC1(C)CO[C@@H]2NC(C)(C)CO[C@H]2N1
InChIInChI=1S/C10H20N2O2/c1-9(2)5-13-8-7(11-9)14-6-10(3,4)12-8/h7-8,11-12H,5-6H2,1-4H3/t7-,8+
InChIKeyQWMVYPHETNUALJ-OCAPTIKFSA-N
MW200.28 g/mol
LogP0.44
Rot. Bonds

About (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine

(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine (PubChem CID 139225414) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
PubChem CID139225414
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
SMILESCC1(C)CO[C@@H]2NC(C)(C)CO[C@H]2N1
InChIInChI=1S/C10H20N2O2/c1-9(2)5-13-8-7(11-9)14-6-10(3,4)12-8/h7-8,11-12H,5-6H2,1-4H3/t7-,8+
InChIKeyQWMVYPHETNUALJ-OCAPTIKFSA-N
XLogP0.44
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227940
4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227603
2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
CID 117227876
4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine
CID 10887883
4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227911
4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227855
(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 51863688
3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 43366931
3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
CID 43608947
2,2,3,5,5-pentamethylmorpholine
CID 23175306

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine?
The IUPAC name of (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine (CID 139225414) is (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine.
What is the SMILES notation for (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine?
The canonical SMILES for (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine is CC1(C)CO[C@@H]2NC(C)(C)CO[C@H]2N1.
What is the InChIKey of (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine?
The InChIKey is QWMVYPHETNUALJ-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2)5-13-8-7(11-9)14-6-10(3,4)12-8/h7-8,11-12H,5-6H2,1-4H3/t7-,8+.
What are the key properties of (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine?
(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine has a molecular weight of 200.28 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine is sourced from PubChem (CID 139225414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).