(3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane

C14H20N2O — CID 10847197

IUPAC(3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane
SMILESC[C@@H]1CN(C)[C@@H](/C=C/c2ccccc2)ON1C
InChIInChI=1S/C14H20N2O/c1-12-11-15(2)14(17-16(12)3)10-9-13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3/b10-9+/t12-,14-/m1/s1
InChIKeyVOPWZDMGZZBNFX-SNYUGRAUSA-N
MW232.33 g/mol
LogP2.22
Rot. Bonds2

About (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane

(3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane (PubChem CID 10847197) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane.

Molecular Properties

Compound Name(3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane
PubChem CID10847197
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane
SMILESC[C@@H]1CN(C)[C@@H](/C=C/c2ccccc2)ON1C
InChIInChI=1S/C14H20N2O/c1-12-11-15(2)14(17-16(12)3)10-9-13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3/b10-9+/t12-,14-/m1/s1
InChIKeyVOPWZDMGZZBNFX-SNYUGRAUSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(2-methyl-3-phenyl-2-propen-1-yl)piperazine
CID 2058153
Methoxybenzylidene butylaniline
CID 129664162
lithium (E)-1-[2-(dimethylamino)ethyl-methylamino]-3-phenylprop-2-en-1-olate
CID 101026992
Cyano-benzylidene-ethoxy-aniline
CID 129676854
Butyloxybenzylidene heptylaniline
CID 129677955
Butoxybenzylidene butylaniline
CID 129692823
Butoxy benzylidene pentylaniline
CID 129728763
Ethoxybenzylidene-butylaniline
CID 129772647
N,N'-dimethoxy-phenylpiperazine
CID 129784996
1-Benzyl-4-butyl-1-methoxy-4-methylpiperazine-1,4-diium
CID 3053445
(2R)-4-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-1-prop-2-enoxypiperazine
CID 178150244
4-Phenyl-2-propan-2-yl-3,6-dihydrooxazine
CID 12580580

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane?
The IUPAC name of (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane (CID 10847197) is (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane.
What is the SMILES notation for (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane?
The canonical SMILES for (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane is C[C@@H]1CN(C)[C@@H](/C=C/c2ccccc2)ON1C.
What is the InChIKey of (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane?
The InChIKey is VOPWZDMGZZBNFX-SNYUGRAUSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-11-15(2)14(17-16(12)3)10-9-13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3/b10-9+/t12-,14-/m1/s1.
What are the key properties of (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane?
(3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane has a molecular weight of 232.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]-1,2,5-oxadiazinane is sourced from PubChem (CID 10847197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).