8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane

C138H235F2N13O8 — CID 165108213

IUPAC8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(c1)OCC1COCCN21.CN1CC(=O)N2c3ccc(C(C)(C)C)cc3OCC2C1.CN1CC2COc3cc(C(C)(C)C)ccc3N2CC1=O.CN1CCN2c3ccc(C(C)(C)C)cc3C(=O)CC2C1.CN1CCN2c3ccc(C(C)(C)C)cc3C(F)(F)CC2C1.CN1CCN2c3ccc(C(C)(C)C)cc3CCC2C1.CN1CCN2c3ccc(C(C)(C)C)cc3OCC2C1
InChIInChI=1S/C17H24F2N2.C17H24N2O.C17H26N2.2C16H22N2O2.C16H24N2O.C15H21NO2.12C2H6/c1-16(2,3)12-5-6-15-14(9-12)17(18,19)10-13-11-20(4)7-8-21(13)15;1-17(2,3)12-5-6-15-14(9-12)16(20)10-13-11-18(4)7-8-19(13)15;1-17(2,3)14-6-8-16-13(11-14)5-7-15-12-18(4)9-10-19(15)16;1-16(2,3)11-5-6-13-14(7-11)20-10-12-8-17(4)15(19)9-18(12)13;1-16(2,3)11-5-6-13-14(7-11)20-10-12-8-17(4)9-15(19)18(12)13;1-16(2,3)12-5-6-14-15(9-12)19-11-13-10-17(4)7-8-18(13)14;1-15(2,3)11-4-5-13-14(8-11)18-10-12-9-17-7-6-16(12)13;12*1-2/h5-6,9,13H,7-8,10-11H2,1-4H3;5-6,9,13H,7-8,10-11H2,1-4H3;6,8,11,15H,5,7,9-10,12H2,1-4H3;2*5-7,12H,8-10H2,1-4H3;5-6,9,13H,7-8,10-11H2,1-4H3;4-5,8,12H,6-7,9-10H2,1-3H3;12*1-2H3
InChIKeyZMURKBYQZBBEOB-UHFFFAOYSA-N
MW2242.48 g/mol
LogP30.78
Rot. Bonds

About 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane

8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane (PubChem CID 165108213) has the molecular formula C138H235F2N13O8 and a molecular weight of 2242.48 g/mol. Its IUPAC name is 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane.

Molecular Properties

Compound Name8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane
PubChem CID165108213
Molecular FormulaC138H235F2N13O8
Molecular Weight2242.48 g/mol
Exact Mass2240.83
IUPAC Name8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(c1)OCC1COCCN21.CN1CC(=O)N2c3ccc(C(C)(C)C)cc3OCC2C1.CN1CC2COc3cc(C(C)(C)C)ccc3N2CC1=O.CN1CCN2c3ccc(C(C)(C)C)cc3C(=O)CC2C1.CN1CCN2c3ccc(C(C)(C)C)cc3C(F)(F)CC2C1.CN1CCN2c3ccc(C(C)(C)C)cc3CCC2C1.CN1CCN2c3ccc(C(C)(C)C)cc3OCC2C1
InChIInChI=1S/C17H24F2N2.C17H24N2O.C17H26N2.2C16H22N2O2.C16H24N2O.C15H21NO2.12C2H6/c1-16(2,3)12-5-6-15-14(9-12)17(18,19)10-13-11-20(4)7-8-21(13)15;1-17(2,3)12-5-6-15-14(9-12)16(20)10-13-11-18(4)7-8-19(13)15;1-17(2,3)14-6-8-16-13(11-14)5-7-15-12-18(4)9-10-19(15)16;1-16(2,3)11-5-6-13-14(7-11)20-10-12-8-17(4)15(19)9-18(12)13;1-16(2,3)11-5-6-13-14(7-11)20-10-12-8-17(4)9-15(19)18(12)13;1-16(2,3)12-5-6-14-15(9-12)19-11-13-10-17(4)7-8-18(13)14;1-15(2,3)11-4-5-13-14(8-11)18-10-12-9-17-7-6-16(12)13;12*1-2/h5-6,9,13H,7-8,10-11H2,1-4H3;5-6,9,13H,7-8,10-11H2,1-4H3;6,8,11,15H,5,7,9-10,12H2,1-4H3;2*5-7,12H,8-10H2,1-4H3;5-6,9,13H,7-8,10-11H2,1-4H3;4-5,8,12H,6-7,9-10H2,1-3H3;12*1-2H3
InChIKeyZMURKBYQZBBEOB-UHFFFAOYSA-N
XLogP30.78
TPSA139.48 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002242.48
LogP ≤ 530.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methyl-N-[2-[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]ethyl]-3-phenylpropanamide
CID 67368818
2-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methyl-N-[2-[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]ethyl]-3-phenylpropanamide
CID 67368819
(2S)-N-methyl-N-[2-[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]ethyl]-2-[(4-morpholin-4-ylphenyl)methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanamide
CID 67384546
N-methyl-N-[2-[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]ethyl]-2-[(4-morpholin-4-ylphenyl)methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanamide
CID 67384548
3-amino-4-[4,4-difluoro-7-(2-methylpropyl)-1,3-dihydroisoquinolin-2-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[6-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[7-(2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[7-(2-methylpropyl)-4-oxo-1,3-dihydroisoquinolin-2-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[8-(2-methylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]cyclobut-3-ene-1,2-dione;methane
CID 157431084
3-amino-4-[4,4-difluoro-7-(2-methylpropyl)-1,3-dihydroisoquinolin-2-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[6-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[7-(2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[7-(2-methylpropyl)-4-oxo-1,3-dihydroisoquinolin-2-yl]cyclobut-3-ene-1,2-dione;3-amino-4-[8-(2-methylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]cyclobut-3-ene-1,2-dione
CID 157660858
(2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)acetamide;bis((2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-morpholin-4-yl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide);methane
CID 159027876
1-[(2S,4R)-4-(2-methoxy-4-methylanilino)-2-methyl-6-(3-propoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxy-4-methylanilino)-2-methyl-6-[3-[(2,2,2-trifluoroethylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 160078671
methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 160673419
3-(2-Tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione
CID 163846473
5-[3-(14,22-Dioxo-8-oxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-5-(trifluoromethyl)phenyl]-8-oxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-14,22-dione
CID 166986138
[3-(9,9-Dimethylacridin-10-yl)phenyl]-[3-[9,9-dimethyl-2-[10-[3-(3-phenoxazin-10-ylbenzoyl)phenyl]phenoxazin-3-yl]acridin-10-yl]phenyl]methanone
CID 156149755

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane?
The IUPAC name of 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane (CID 165108213) is 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane.
What is the SMILES notation for 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane?
The canonical SMILES for 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(c1)OCC1COCCN21.CN1CC(=O)N2c3ccc(C(C)(C)C)cc3OCC2C1.CN1CC2COc3cc(C(C)(C)C)ccc3N2CC1=O.CN1CCN2c3ccc(C(C)(C)C)cc3C(=O)CC2C1.CN1CCN2c3ccc(C(C)(C)C)cc3C(F)(F)CC2C1.CN1CCN2c3ccc(C(C)(C)C)cc3CCC2C1.CN1CCN2c3ccc(C(C)(C)C)cc3OCC2C1.
What is the InChIKey of 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane?
The InChIKey is ZMURKBYQZBBEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2.C17H24N2O.C17H26N2.2C16H22N2O2.C16H24N2O.C15H21NO2.12C2H6/c1-16(2,3)12-5-6-15-14(9-12)17(18,19)10-13-11-20(4)7-8-21(13)15;1-17(2,3)12-5-6-15-14(9-12)16(20)10-13-11-18(4)7-8-19(13)15;1-17(2,3)14-6-8-16-13(11-14)5-7-15-12-18(4)9-10-19(15)16;1-16(2,3)11-5-6-13-14(7-11)20-10-12-8-17(4)15(19)9-18(12)13;1-16(2,3)11-5-6-13-14(7-11)20-10-12-8-17(4)9-15(19)18(12)13;1-16(2,3)12-5-6-14-15(9-12)19-11-13-10-17(4)7-8-18(13)14;1-15(2,3)11-4-5-13-14(8-11)18-10-12-9-17-7-6-16(12)13;12*1-2/h5-6,9,13H,7-8,10-11H2,1-4H3;5-6,9,13H,7-8,10-11H2,1-4H3;6,8,11,15H,5,7,9-10,12H2,1-4H3;2*5-7,12H,8-10H2,1-4H3;5-6,9,13H,7-8,10-11H2,1-4H3;4-5,8,12H,6-7,9-10H2,1-3H3;12*1-2H3.
What are the key properties of 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane?
8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane has a molecular weight of 2242.48 g/mol, XLogP of 30.78, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazine;8-tert-butyl-6,6-difluoro-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinolin-6-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine;8-tert-butyl-3-methyl-1,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-2-one;8-tert-butyl-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one;ethane is sourced from PubChem (CID 165108213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).