6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline

C173H226N38O2S2 — CID 160773895

IUPAC6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)c1cc2ccnc(N)c2cn1.CC(C)(C)c1ccc2[nH]nc(N)c2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2c(N)nccc2n1.CC(C)(C)c1ccc2c(N)ncnc2c1.CC(C)(C)c1ccc2c(N)noc2c1.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1ccc2nc(N)cn2c1.CC(C)(C)c1ccc2nc(N)sc2c1.CC(C)(C)c1ccc2onc(N)c2c1.CC(C)(C)c1ccc2sc(N)nc2c1.CC(C)(C)c1ccn2cc(N)nc2c1.CC(C)(C)c1cnc2c(N)nccc2c1
InChIInChI=1S/C13H16N2.C13H19N.4C12H15N3.5C11H15N3.2C11H14N2O.2C11H14N2S/c1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)10-6-8-4-5-14-11(13)9(8)7-15-10;1-12(2,3)9-6-8-4-5-14-11(13)10(8)15-7-9;1-12(2,3)8-4-5-9-10(6-8)14-7-15-11(9)13;1-12(2,3)10-5-4-8-9(15-10)6-7-14-11(8)13;1-11(2,3)8-4-5-14-7-9(12)13-10(14)6-8;1-11(2,3)8-4-5-10-13-9(12)7-14(10)6-8;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)7-4-5-9-8(6-7)10(12)13-14-9;1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-8H,1-3H3,(H2,14,15);4-5,8,14H,6-7,9H2,1-3H3;2*4-7H,1-3H3,(H2,13,14);4-7H,1-3H3,(H2,13,14,15);4-7H,1-3H3,(H2,13,14);2*4-7H,12H2,1-3H3;3*4-6H,1-3H3,(H3,12,13,14);4*4-6H,1-3H3,(H2,12,13)
InChIKeyRZRMHJFXQUZTCH-UHFFFAOYSA-N
MW2934.11 g/mol
LogP39.31
Rot. Bonds

About 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline

6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 160773895) has the molecular formula C173H226N38O2S2 and a molecular weight of 2934.11 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID160773895
Molecular FormulaC173H226N38O2S2
Molecular Weight2934.11 g/mol
Exact Mass2931.82
IUPAC Name6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)c1cc2ccnc(N)c2cn1.CC(C)(C)c1ccc2[nH]nc(N)c2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2c(N)nccc2n1.CC(C)(C)c1ccc2c(N)ncnc2c1.CC(C)(C)c1ccc2c(N)noc2c1.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1ccc2nc(N)cn2c1.CC(C)(C)c1ccc2nc(N)sc2c1.CC(C)(C)c1ccc2onc(N)c2c1.CC(C)(C)c1ccc2sc(N)nc2c1.CC(C)(C)c1ccn2cc(N)nc2c1.CC(C)(C)c1cnc2c(N)nccc2c1
InChIInChI=1S/C13H16N2.C13H19N.4C12H15N3.5C11H15N3.2C11H14N2O.2C11H14N2S/c1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)10-6-8-4-5-14-11(13)9(8)7-15-10;1-12(2,3)9-6-8-4-5-14-11(13)10(8)15-7-9;1-12(2,3)8-4-5-9-10(6-8)14-7-15-11(9)13;1-12(2,3)10-5-4-8-9(15-10)6-7-14-11(8)13;1-11(2,3)8-4-5-14-7-9(12)13-10(14)6-8;1-11(2,3)8-4-5-10-13-9(12)7-14(10)6-8;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)7-4-5-9-8(6-7)10(12)13-14-9;1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-8H,1-3H3,(H2,14,15);4-5,8,14H,6-7,9H2,1-3H3;2*4-7H,1-3H3,(H2,13,14);4-7H,1-3H3,(H2,13,14,15);4-7H,1-3H3,(H2,13,14);2*4-7H,12H2,1-3H3;3*4-6H,1-3H3,(H3,12,13,14);4*4-6H,1-3H3,(H2,12,13)
InChIKeyRZRMHJFXQUZTCH-UHFFFAOYSA-N
XLogP39.31
TPSA690.80 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002934.11
LogP ≤ 539.31
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Analyze 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Launch Full Analysis

Related Compounds

CID 167564541
CID 167564541
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindol-1-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157061307
6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157106826
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine)
CID 157130056
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157279739
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine
CID 157402732
2,7-dimethylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;N-(7-methylnaphthalen-2-yl)formamide;(7-methylnaphthalen-2-yl)methanol;5-methyl-1H-pyrazolo[5,4-b]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine
CID 157421765
5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;5-tert-butyl-2H-indene;6-tert-butyl-1H-indole;bis(6-tert-butyl-3H-indole);6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 157425411
6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;(7-methylnaphthalen-2-yl)methanamine
CID 157483946
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole
CID 157524323
2-(1,3-benzothiazol-2-ylsulfanyl)acetate;2-(1,2-benzoxazol-3-yl)acetate;2,3-dihydro-1H-indole-2-carboxylate;1H-indole-2-carboxylate;1H-indole-3-carboxylate;1H-indole-4-carboxylate;1H-indole-7-carboxylate;isoquinoline-1-carboxylate;bis(6-methyl-1H-benzimidazole);5-methyl-2H-benzotriazole;1-methylindazole-3-carboxylate;6-methyl-1H-indazole-3-carboxylate;5-methyl-1H-indole;6-methyl-1H-indole;6-methylquinoline;quinoline-2-carboxylate;quinoline-3-carboxylate;quinoline-4-carboxylate;quinoline-5-carboxylate;quinoxaline-2-carboxylate;1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 157652726

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline (CID 160773895) is 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline is CC(C)(C)c1cc2ccnc(N)c2cn1.CC(C)(C)c1ccc2[nH]nc(N)c2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2c(N)nccc2n1.CC(C)(C)c1ccc2c(N)ncnc2c1.CC(C)(C)c1ccc2c(N)noc2c1.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1ccc2nc(N)cn2c1.CC(C)(C)c1ccc2nc(N)sc2c1.CC(C)(C)c1ccc2onc(N)c2c1.CC(C)(C)c1ccc2sc(N)nc2c1.CC(C)(C)c1ccn2cc(N)nc2c1.CC(C)(C)c1cnc2c(N)nccc2c1.
What is the InChIKey of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RZRMHJFXQUZTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H19N.4C12H15N3.5C11H15N3.2C11H14N2O.2C11H14N2S/c1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)10-6-8-4-5-14-11(13)9(8)7-15-10;1-12(2,3)9-6-8-4-5-14-11(13)10(8)15-7-9;1-12(2,3)8-4-5-9-10(6-8)14-7-15-11(9)13;1-12(2,3)10-5-4-8-9(15-10)6-7-14-11(8)13;1-11(2,3)8-4-5-14-7-9(12)13-10(14)6-8;1-11(2,3)8-4-5-10-13-9(12)7-14(10)6-8;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)7-4-5-9-8(6-7)10(12)13-14-9;1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-8H,1-3H3,(H2,14,15);4-5,8,14H,6-7,9H2,1-3H3;2*4-7H,1-3H3,(H2,13,14);4-7H,1-3H3,(H2,13,14,15);4-7H,1-3H3,(H2,13,14);2*4-7H,12H2,1-3H3;3*4-6H,1-3H3,(H3,12,13,14);4*4-6H,1-3H3,(H2,12,13).
What are the key properties of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline?
6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 2934.11 g/mol, XLogP of 39.31, 0 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butylimidazo[1,2-a]pyridin-2-amine;7-tert-butylimidazo[1,2-a]pyridin-2-amine;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-1,6-naphthyridin-5-amine;3-tert-butyl-1,7-naphthyridin-8-amine;6-tert-butyl-2,7-naphthyridin-1-amine;7-tert-butylquinazolin-4-amine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 160773895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).