8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile

C229H321ClF7N33O5S2 — CID 159620282

IUPAC8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile
SMILESCC(C)c1cc(C#N)c2c(c1)CCN(C)C2(C)C.CC(C)c1cc(C#N)c2c(c1)CCNC2(C)C.CC(C)c1cc(C#N)c2c(c1)CNCC2(C)C.CC(C)c1cc(CO)c2c(c1)CCNC2(C)C.CC(C)c1cc(Cl)c2c(c1)CCNC2(C)C.CC(C)c1cc(F)c2c(c1)CCNC2(C)C.CC(C)c1ccc2c(N(C)C)noc2c1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)CCN(C)C2(C)C.CC(C)c1ccc2c(c1)CCN(C)C2(C)C(F)(F)F.CC(C)c1ccc2c(c1)CCNC2(C)C(F)(F)F.CC(C)c1ccc2nc(N(C)C)[nH]c2c1.CC(C)c1ccc2nc(N(C)C)oc2c1.CC(C)c1ccc2nc(N(C)C)sc2c1.CC(C)c1cnc2c(n1)CCNC2.CC(C)c1cnc2c(n1)CNCC2.CC(C)c1nc2c(o1)CCNC2.CC(C)c1nc2c(s1)CCNC2
InChIInChI=1S/C16H22N2.C15H20F3N.2C15H20N2.C15H23NO.C15H23N.C14H20ClN.C14H18F3N.C14H20FN.C12H17N3.2C12H16N2O.C12H16N2S.2C10H15N3.C10H12N2O.C9H14N2O.C9H14N2S/c1-11(2)13-8-12-6-7-18(5)16(3,4)15(12)14(9-13)10-17;1-10(2)11-5-6-13-12(9-11)7-8-19(4)14(13,3)15(16,17)18;1-10(2)11-5-12(7-16)14-13(6-11)8-17-9-15(14,3)4;1-10(2)12-7-11-5-6-17-15(3,4)14(11)13(8-12)9-16;1-10(2)12-7-11-5-6-16-15(3,4)14(11)13(8-12)9-17;1-11(2)12-6-7-14-13(10-12)8-9-16(5)15(14,3)4;1-9(2)11-7-10-5-6-16-14(3,4)13(10)12(15)8-11;1-9(2)10-4-5-12-11(8-10)6-7-18-13(12,3)14(15,16)17;1-9(2)11-7-10-5-6-16-14(3,4)13(10)12(15)8-11;1-8(2)9-5-6-10-11(7-9)14-12(13-10)15(3)4;1-8(2)9-5-6-10-11(7-9)15-12(13-10)14(3)4;1-8(2)9-5-6-10-11(7-9)15-13-12(10)14(3)4;1-8(2)9-5-6-10-11(7-9)15-12(13-10)14(3)4;1-7(2)9-6-12-10-5-11-4-3-8(10)13-9;1-7(2)9-6-12-8-3-4-11-5-10(8)13-9;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;2*1-6(2)9-11-7-5-10-4-3-8(7)12-9/h8-9,11H,6-7H2,1-5H3;5-6,9-10H,7-8H2,1-4H3;5-6,10,17H,8-9H2,1-4H3;7-8,10,17H,5-6H2,1-4H3;7-8,10,16-17H,5-6,9H2,1-4H3;6-7,10-11H,8-9H2,1-5H3;7-9,16H,5-6H2,1-4H3;4-5,8-9,18H,6-7H2,1-3H3;7-9,16H,5-6H2,1-4H3;5-8H,1-4H3,(H,13,14);3*5-8H,1-4H3;2*6-7,11H,3-5H2,1-2H3;3-6H,1-2H3,(H2,11,12);2*6,10H,3-5H2,1-2H3
InChIKeyMNURUIXBDOMFPE-UHFFFAOYSA-N
MW3848.89 g/mol
LogP51.38
Rot. Bonds23

About 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile

8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile (PubChem CID 159620282) has the molecular formula C229H321ClF7N33O5S2 and a molecular weight of 3848.89 g/mol. Its IUPAC name is 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile.

Molecular Properties

Compound Name8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile
PubChem CID159620282
Molecular FormulaC229H321ClF7N33O5S2
Molecular Weight3848.89 g/mol
Exact Mass3845.49
IUPAC Name8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile
SMILESCC(C)c1cc(C#N)c2c(c1)CCN(C)C2(C)C.CC(C)c1cc(C#N)c2c(c1)CCNC2(C)C.CC(C)c1cc(C#N)c2c(c1)CNCC2(C)C.CC(C)c1cc(CO)c2c(c1)CCNC2(C)C.CC(C)c1cc(Cl)c2c(c1)CCNC2(C)C.CC(C)c1cc(F)c2c(c1)CCNC2(C)C.CC(C)c1ccc2c(N(C)C)noc2c1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)CCN(C)C2(C)C.CC(C)c1ccc2c(c1)CCN(C)C2(C)C(F)(F)F.CC(C)c1ccc2c(c1)CCNC2(C)C(F)(F)F.CC(C)c1ccc2nc(N(C)C)[nH]c2c1.CC(C)c1ccc2nc(N(C)C)oc2c1.CC(C)c1ccc2nc(N(C)C)sc2c1.CC(C)c1cnc2c(n1)CCNC2.CC(C)c1cnc2c(n1)CNCC2.CC(C)c1nc2c(o1)CCNC2.CC(C)c1nc2c(s1)CCNC2
InChIInChI=1S/C16H22N2.C15H20F3N.2C15H20N2.C15H23NO.C15H23N.C14H20ClN.C14H18F3N.C14H20FN.C12H17N3.2C12H16N2O.C12H16N2S.2C10H15N3.C10H12N2O.C9H14N2O.C9H14N2S/c1-11(2)13-8-12-6-7-18(5)16(3,4)15(12)14(9-13)10-17;1-10(2)11-5-6-13-12(9-11)7-8-19(4)14(13,3)15(16,17)18;1-10(2)11-5-12(7-16)14-13(6-11)8-17-9-15(14,3)4;1-10(2)12-7-11-5-6-17-15(3,4)14(11)13(8-12)9-16;1-10(2)12-7-11-5-6-16-15(3,4)14(11)13(8-12)9-17;1-11(2)12-6-7-14-13(10-12)8-9-16(5)15(14,3)4;1-9(2)11-7-10-5-6-16-14(3,4)13(10)12(15)8-11;1-9(2)10-4-5-12-11(8-10)6-7-18-13(12,3)14(15,16)17;1-9(2)11-7-10-5-6-16-14(3,4)13(10)12(15)8-11;1-8(2)9-5-6-10-11(7-9)14-12(13-10)15(3)4;1-8(2)9-5-6-10-11(7-9)15-12(13-10)14(3)4;1-8(2)9-5-6-10-11(7-9)15-13-12(10)14(3)4;1-8(2)9-5-6-10-11(7-9)15-12(13-10)14(3)4;1-7(2)9-6-12-10-5-11-4-3-8(10)13-9;1-7(2)9-6-12-8-3-4-11-5-10(8)13-9;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;2*1-6(2)9-11-7-5-10-4-3-8(7)12-9/h8-9,11H,6-7H2,1-5H3;5-6,9-10H,7-8H2,1-4H3;5-6,10,17H,8-9H2,1-4H3;7-8,10,17H,5-6H2,1-4H3;7-8,10,16-17H,5-6,9H2,1-4H3;6-7,10-11H,8-9H2,1-5H3;7-9,16H,5-6H2,1-4H3;4-5,8-9,18H,6-7H2,1-3H3;7-9,16H,5-6H2,1-4H3;5-8H,1-4H3,(H,13,14);3*5-8H,1-4H3;2*6-7,11H,3-5H2,1-2H3;3-6H,1-2H3,(H2,11,12);2*6,10H,3-5H2,1-2H3
InChIKeyMNURUIXBDOMFPE-UHFFFAOYSA-N
XLogP51.38
TPSA470.74 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds23
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003848.89
LogP ≤ 551.38
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Analyze 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile with MolForge

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What is the IUPAC name of 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile?
The IUPAC name of 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile (CID 159620282) is 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile.
What is the SMILES notation for 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile?
The canonical SMILES for 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile is CC(C)c1cc(C#N)c2c(c1)CCN(C)C2(C)C.CC(C)c1cc(C#N)c2c(c1)CCNC2(C)C.CC(C)c1cc(C#N)c2c(c1)CNCC2(C)C.CC(C)c1cc(CO)c2c(c1)CCNC2(C)C.CC(C)c1cc(Cl)c2c(c1)CCNC2(C)C.CC(C)c1cc(F)c2c(c1)CCNC2(C)C.CC(C)c1ccc2c(N(C)C)noc2c1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)CCN(C)C2(C)C.CC(C)c1ccc2c(c1)CCN(C)C2(C)C(F)(F)F.CC(C)c1ccc2c(c1)CCNC2(C)C(F)(F)F.CC(C)c1ccc2nc(N(C)C)[nH]c2c1.CC(C)c1ccc2nc(N(C)C)oc2c1.CC(C)c1ccc2nc(N(C)C)sc2c1.CC(C)c1cnc2c(n1)CCNC2.CC(C)c1cnc2c(n1)CNCC2.CC(C)c1nc2c(o1)CCNC2.CC(C)c1nc2c(s1)CCNC2.
What is the InChIKey of 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile?
The InChIKey is MNURUIXBDOMFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.C15H20F3N.2C15H20N2.C15H23NO.C15H23N.C14H20ClN.C14H18F3N.C14H20FN.C12H17N3.2C12H16N2O.C12H16N2S.2C10H15N3.C10H12N2O.C9H14N2O.C9H14N2S/c1-11(2)13-8-12-6-7-18(5)16(3,4)15(12)14(9-13)10-17;1-10(2)11-5-6-13-12(9-11)7-8-19(4)14(13,3)15(16,17)18;1-10(2)11-5-12(7-16)14-13(6-11)8-17-9-15(14,3)4;1-10(2)12-7-11-5-6-17-15(3,4)14(11)13(8-12)9-16;1-10(2)12-7-11-5-6-16-15(3,4)14(11)13(8-12)9-17;1-11(2)12-6-7-14-13(10-12)8-9-16(5)15(14,3)4;1-9(2)11-7-10-5-6-16-14(3,4)13(10)12(15)8-11;1-9(2)10-4-5-12-11(8-10)6-7-18-13(12,3)14(15,16)17;1-9(2)11-7-10-5-6-16-14(3,4)13(10)12(15)8-11;1-8(2)9-5-6-10-11(7-9)14-12(13-10)15(3)4;1-8(2)9-5-6-10-11(7-9)15-12(13-10)14(3)4;1-8(2)9-5-6-10-11(7-9)15-13-12(10)14(3)4;1-8(2)9-5-6-10-11(7-9)15-12(13-10)14(3)4;1-7(2)9-6-12-10-5-11-4-3-8(10)13-9;1-7(2)9-6-12-8-3-4-11-5-10(8)13-9;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;2*1-6(2)9-11-7-5-10-4-3-8(7)12-9/h8-9,11H,6-7H2,1-5H3;5-6,9-10H,7-8H2,1-4H3;5-6,10,17H,8-9H2,1-4H3;7-8,10,17H,5-6H2,1-4H3;7-8,10,16-17H,5-6,9H2,1-4H3;6-7,10-11H,8-9H2,1-5H3;7-9,16H,5-6H2,1-4H3;4-5,8-9,18H,6-7H2,1-3H3;7-9,16H,5-6H2,1-4H3;5-8H,1-4H3,(H,13,14);3*5-8H,1-4H3;2*6-7,11H,3-5H2,1-2H3;3-6H,1-2H3,(H2,11,12);2*6,10H,3-5H2,1-2H3.
What are the key properties of 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile?
8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile has a molecular weight of 3848.89 g/mol, XLogP of 51.38, 23 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline-8-carbonitrile;4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline-5-carbonitrile;(1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-8-yl)methanol;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;8-fluoro-1,1-dimethyl-6-propan-2-yl-3,4-dihydro-2H-isoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;1,1,2-trimethyl-6-propan-2-yl-3,4-dihydroisoquinoline-8-carbonitrile is sourced from PubChem (CID 159620282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).