11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C202H404N32O3S — CID 158202279

IUPAC11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1C2CCC(=O)C1CC2.CC(C)N1C2CCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC1CC2.CC(C)N1CCCC(=O)C1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)N1CCc2[nH]ncc2C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2nc[nH]c2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2ccnc2C1.CC(C)N1CCn2cncc2C1.CC(C)N1C[C@@H]2CC[C@H]1C2.CC(C)N1[C@@H]2CCC[C@H]1CC2
InChIInChI=1S/C12H19N3.C11H16N2.C10H17NO.3C10H19N.5C9H15N3.C9H14N2S.2C9H17N.C8H15NO.2C8H17N.C7H15NO.18C2H6/c1-12(2,3)15-8-4-5-11(15)9-7-13-14-10(9)6-8;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-7(2)11-8-3-5-9(11)10(12)6-4-8;1-8(2)11-7-9-3-5-10(11)6-4-9;2*1-8(2)11-9-4-3-5-10(11)7-6-9;1-8(2)11-3-4-12-7-10-5-9(12)6-11;1-7(2)12-4-3-9-8(6-12)5-10-11-9;1-7(2)12-4-3-8-9(5-12)11-6-10-8;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-8(2)12-6-5-11-4-3-10-9(11)7-12;1-7(2)11-4-3-8-9(5-11)12-6-10-8;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-7(2)9-5-3-4-8(10)6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;18*1-2/h7-8,11H,4-6H2,1-3H3,(H,13,14);3-4,6,9H,5,7-8H2,1-2H3;7-9H,3-6H2,1-2H3;3*8-10H,3-7H2,1-2H3;5,7-8H,3-4,6H2,1-2H3;5,7H,3-4,6H2,1-2H3,(H,10,11);6-7H,3-5H2,1-2H3,(H,10,11);5,7H,3-4,6H2,1-2H3,(H,10,11);3-4,8H,5-7H2,1-2H3;6-7H,3-5H2,1-2H3;2*7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;18*1-2H3/t;;;;9-,10+;;;;;;;;8-,9+;;;;;;;;;;;;;;;;;;;;;;;/m............1......................./s1
InChIKeyGBBVCVFNDDBTME-NMTKJCKESA-N
MW3361.74 g/mol
LogP48.37
Rot. Bonds17

About 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 158202279) has the molecular formula C202H404N32O3S and a molecular weight of 3361.74 g/mol. Its IUPAC name is 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID158202279
Molecular FormulaC202H404N32O3S
Molecular Weight3361.74 g/mol
Exact Mass3359.22
IUPAC Name11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1C2CCC(=O)C1CC2.CC(C)N1C2CCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC1CC2.CC(C)N1CCCC(=O)C1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)N1CCc2[nH]ncc2C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2nc[nH]c2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2ccnc2C1.CC(C)N1CCn2cncc2C1.CC(C)N1C[C@@H]2CC[C@H]1C2.CC(C)N1[C@@H]2CCC[C@H]1CC2
InChIInChI=1S/C12H19N3.C11H16N2.C10H17NO.3C10H19N.5C9H15N3.C9H14N2S.2C9H17N.C8H15NO.2C8H17N.C7H15NO.18C2H6/c1-12(2,3)15-8-4-5-11(15)9-7-13-14-10(9)6-8;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-7(2)11-8-3-5-9(11)10(12)6-4-8;1-8(2)11-7-9-3-5-10(11)6-4-9;2*1-8(2)11-9-4-3-5-10(11)7-6-9;1-8(2)11-3-4-12-7-10-5-9(12)6-11;1-7(2)12-4-3-9-8(6-12)5-10-11-9;1-7(2)12-4-3-8-9(5-12)11-6-10-8;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-8(2)12-6-5-11-4-3-10-9(11)7-12;1-7(2)11-4-3-8-9(5-11)12-6-10-8;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-7(2)9-5-3-4-8(10)6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;18*1-2/h7-8,11H,4-6H2,1-3H3,(H,13,14);3-4,6,9H,5,7-8H2,1-2H3;7-9H,3-6H2,1-2H3;3*8-10H,3-7H2,1-2H3;5,7-8H,3-4,6H2,1-2H3;5,7H,3-4,6H2,1-2H3,(H,10,11);6-7H,3-5H2,1-2H3,(H,10,11);5,7H,3-4,6H2,1-2H3,(H,10,11);3-4,8H,5-7H2,1-2H3;6-7H,3-5H2,1-2H3;2*7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;18*1-2H3/t;;;;9-,10+;;;;;;;;8-,9+;;;;;;;;;;;;;;;;;;;;;;;/m............1......................./s1
InChIKeyGBBVCVFNDDBTME-NMTKJCKESA-N
XLogP48.37
TPSA277.83 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds17
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003361.74
LogP ≤ 548.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 158202279) is 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1C2CCC(=O)C1CC2.CC(C)N1C2CCC1CC2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC1CC2.CC(C)N1CCCC(=O)C1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)N1CCc2[nH]ncc2C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2nc[nH]c2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2ccnc2C1.CC(C)N1CCn2cncc2C1.CC(C)N1C[C@@H]2CC[C@H]1C2.CC(C)N1[C@@H]2CCC[C@H]1CC2.
What is the InChIKey of 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is GBBVCVFNDDBTME-NMTKJCKESA-N. The full InChI is InChI=1S/C12H19N3.C11H16N2.C10H17NO.3C10H19N.5C9H15N3.C9H14N2S.2C9H17N.C8H15NO.2C8H17N.C7H15NO.18C2H6/c1-12(2,3)15-8-4-5-11(15)9-7-13-14-10(9)6-8;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-7(2)11-8-3-5-9(11)10(12)6-4-8;1-8(2)11-7-9-3-5-10(11)6-4-9;2*1-8(2)11-9-4-3-5-10(11)7-6-9;1-8(2)11-3-4-12-7-10-5-9(12)6-11;1-7(2)12-4-3-9-8(6-12)5-10-11-9;1-7(2)12-4-3-8-9(5-12)11-6-10-8;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-8(2)12-6-5-11-4-3-10-9(11)7-12;1-7(2)11-4-3-8-9(5-11)12-6-10-8;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-7(2)9-5-3-4-8(10)6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;18*1-2/h7-8,11H,4-6H2,1-3H3,(H,13,14);3-4,6,9H,5,7-8H2,1-2H3;7-9H,3-6H2,1-2H3;3*8-10H,3-7H2,1-2H3;5,7-8H,3-4,6H2,1-2H3;5,7H,3-4,6H2,1-2H3,(H,10,11);6-7H,3-5H2,1-2H3,(H,10,11);5,7H,3-4,6H2,1-2H3,(H,10,11);3-4,8H,5-7H2,1-2H3;6-7H,3-5H2,1-2H3;2*7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;18*1-2H3/t;;;;9-,10+;;;;;;;;8-,9+;;;;;;;;;;;;;;;;;;;;;;;/m............1......................./s1.
What are the key properties of 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 3361.74 g/mol, XLogP of 48.37, 17 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;ethane;(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-one;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-3-one;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 158202279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).