4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)

C164H210N14O7S — CID 161052895

IUPAC4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)
SMILESCC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CNCC2(C)C.CC(C)c1ccc2c(c1)CNCC21CC1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)CC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1ccc2scnc2c1
InChIInChI=1S/C14H20N2.C14H19N.C14H21N.C13H18.2C12H15NO.2C12H17N.C11H13NO.4C10H11NO.C10H11NS/c1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)11-3-4-13-12(7-11)8-15-9-14(13)5-6-14;1-10(2)11-5-6-13-12(7-11)8-15-9-14(13,3)4;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-8(2)10-4-3-9-5-6-12(14)13-11(9)7-10;2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10/h5-8,10,15H,9H2,1-4H3;3-4,7,10,15H,5-6,8-9H2,1-2H3;5-7,10,15H,8-9H2,1-4H3;7-10H,3-6H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3,(H,13,14);2*5-6,8-9,13H,3-4,7H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);5*3-7H,1-2H3
InChIKeyUCJHBHULLZOUGS-UHFFFAOYSA-N
MW2521.64 g/mol
LogP41.83
Rot. Bonds16

About 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)

4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) (PubChem CID 161052895) has the molecular formula C164H210N14O7S and a molecular weight of 2521.64 g/mol. Its IUPAC name is 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline).

Molecular Properties

Compound Name4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)
PubChem CID161052895
Molecular FormulaC164H210N14O7S
Molecular Weight2521.64 g/mol
Exact Mass2519.62
IUPAC Name4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)
SMILESCC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CNCC2(C)C.CC(C)c1ccc2c(c1)CNCC21CC1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)CC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1ccc2scnc2c1
InChIInChI=1S/C14H20N2.C14H19N.C14H21N.C13H18.2C12H15NO.2C12H17N.C11H13NO.4C10H11NO.C10H11NS/c1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)11-3-4-13-12(7-11)8-15-9-14(13)5-6-14;1-10(2)11-5-6-13-12(7-11)8-15-9-14(13,3)4;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-8(2)10-4-3-9-5-6-12(14)13-11(9)7-10;2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10/h5-8,10,15H,9H2,1-4H3;3-4,7,10,15H,5-6,8-9H2,1-2H3;5-7,10,15H,8-9H2,1-4H3;7-10H,3-6H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3,(H,13,14);2*5-6,8-9,13H,3-4,7H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);5*3-7H,1-2H3
InChIKeyUCJHBHULLZOUGS-UHFFFAOYSA-N
XLogP41.83
TPSA271.46 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002521.64
LogP ≤ 541.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-(trifluoromethyl)pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2-ethoxy-3-fluoropyridine;5-tert-butyl-6-fluoro-1H-pyridin-2-one;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine
CID 161557693
2-[3-(1,3-benzothiazol-2-yl)-8-(furan-2-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141193689
2-Tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
CID 157173301
Hexalithium;7-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate;5-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 157207226
Tert-butylbenzene;bis(6-tert-butyl-1,3-benzothiazole);5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-2-fluoro-3-methylbenzene;bis(1-tert-butyl-3-fluoro-5-methylbenzene);2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanobenzene;3-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(2-tert-butyl-4-methylpyridine);bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyridine;3-tert-butylpyridine
CID 158003281
ethane;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 158027113
1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene
CID 158132206
5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole
CID 158175380
benzene;1,1'-biphenyl;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;tert-butylcyclohexane;4-tert-butyl-1H-indole;1-tert-butylpyridin-2-one;1-tert-butylpyridin-4-one;nonakis(2,2-dimethylpropane);isoquinoline;naphthalene;pyrazine;pyridine;quinoline;1H-quinolin-2-one
CID 158278172
tert-butylbenzene;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;bis(5-tert-butyl-2,3-dihydro-1H-indene);5-tert-butyl-1H-indazole;3-tert-butylisoquinoline;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;bis(4-tert-butylpyridine);3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 158673949
Tetralithium;5-[3-(1,3-benzothiazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(1,3-benzothiazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(1,3-benzoxazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 158833159
CID 158869071
CID 158869071

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)?
The IUPAC name of 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) (CID 161052895) is 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline).
What is the SMILES notation for 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)?
The canonical SMILES for 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) is CC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CNCC2(C)C.CC(C)c1ccc2c(c1)CNCC21CC1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)CC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1ccc2scnc2c1.
What is the InChIKey of 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)?
The InChIKey is UCJHBHULLZOUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C14H19N.C14H21N.C13H18.2C12H15NO.2C12H17N.C11H13NO.4C10H11NO.C10H11NS/c1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)11-3-4-13-12(7-11)8-15-9-14(13)5-6-14;1-10(2)11-5-6-13-12(7-11)8-15-9-14(13,3)4;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-8(2)10-4-3-9-5-6-12(14)13-11(9)7-10;2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10/h5-8,10,15H,9H2,1-4H3;3-4,7,10,15H,5-6,8-9H2,1-2H3;5-7,10,15H,8-9H2,1-4H3;7-10H,3-6H2,1-2H3;2*3-4,7-8H,5-6H2,1-2H3,(H,13,14);2*5-6,8-9,13H,3-4,7H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);5*3-7H,1-2H3.
What are the key properties of 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)?
4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) has a molecular weight of 2521.64 g/mol, XLogP of 41.83, 16 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-7-propan-2-yl-2,3-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) is sourced from PubChem (CID 161052895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).