(3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine

C6H14N2O2 — CID 143602736

IUPAC(3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine
SMILESC[C@@H]1NOC(C)(C)[C@H](N)O1
InChIInChI=1S/C6H14N2O2/c1-4-8-10-6(2,3)5(7)9-4/h4-5,8H,7H2,1-3H3/t4-,5-/m1/s1
InChIKeyVZKWEGFXEBDFPA-RFZPGFLSSA-N
MW146.19 g/mol
LogP-0.05
Rot. Bonds

About (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine

(3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine (PubChem CID 143602736) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine.

Molecular Properties

Compound Name(3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine
PubChem CID143602736
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine
SMILESC[C@@H]1NOC(C)(C)[C@H](N)O1
InChIInChI=1S/C6H14N2O2/c1-4-8-10-6(2,3)5(7)9-4/h4-5,8H,7H2,1-3H3/t4-,5-/m1/s1
InChIKeyVZKWEGFXEBDFPA-RFZPGFLSSA-N
XLogP-0.05
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methyloxaziridine
CID 25048571
3-methyloxaziridin-3-amine
CID 123396376
4,4,5,6,6-pentamethyl-1,3-dioxane
CID 122415406
4,5,5-trimethyloxolan-3-amine
CID 175604561
(2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane
CID 55286741
(5R)-4,4-dimethyl-5-propan-2-yl-1,3,2-dioxazolidine
CID 163940703
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
CID 114622240
3,7,7-trimethyloxazepane
CID 91048926
1-methylcyclopropane-1,2,3-triamine
CID 163904501
(3R)-2,2,3-trimethylaziridine
CID 55287043
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine
CID 114624234
5,5-dimethylthiolan-3-amine
CID 59657851

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine?
The IUPAC name of (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine (CID 143602736) is (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine.
What is the SMILES notation for (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine?
The canonical SMILES for (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine is C[C@@H]1NOC(C)(C)[C@H](N)O1.
What is the InChIKey of (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine?
The InChIKey is VZKWEGFXEBDFPA-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4-8-10-6(2,3)5(7)9-4/h4-5,8H,7H2,1-3H3/t4-,5-/m1/s1.
What are the key properties of (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine?
(3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine has a molecular weight of 146.19 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,6,6-trimethyl-1,4,2-dioxazinan-5-amine is sourced from PubChem (CID 143602736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).