1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine

C231H306F6N16O3 — CID 161004567

IUPAC1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1cc2ccccc2cn1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.C14H21N.C14H20.2C13H19NO.2C13H19N.2C12H13N.2C11H12N2.3C10H14.2C9H10F3N.3C9H13N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;2*3-9H,1-2H3;2*3-8H,1-2H3;3*4-8H,1-3H3;2*3-6H,1-2H3;3*4-7H,1-3H3
InChIKeyTWIHOZLBKRPOHA-UHFFFAOYSA-N
MW3469.09 g/mol
LogP65.41
Rot. Bonds29

About 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 161004567) has the molecular formula C231H306F6N16O3 and a molecular weight of 3469.09 g/mol. Its IUPAC name is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID161004567
Molecular FormulaC231H306F6N16O3
Molecular Weight3469.09 g/mol
Exact Mass3466.42
IUPAC Name1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1cc2ccccc2cn1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.C14H21N.C14H20.2C13H19NO.2C13H19N.2C12H13N.2C11H12N2.3C10H14.2C9H10F3N.3C9H13N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;2*3-9H,1-2H3;2*3-8H,1-2H3;3*4-8H,1-3H3;2*3-6H,1-2H3;3*4-7H,1-3H3
InChIKeyTWIHOZLBKRPOHA-UHFFFAOYSA-N
XLogP65.41
TPSA185.68 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003469.09
LogP ≤ 565.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-[[4-[3-[(5-Amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-4-phenylphenyl]-3-morpholin-4-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
CID 138721114
2-[[5-[4-[(5-Amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-3-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylphenyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
CID 138721131
1-[7-[5-amino-7-fluoro-2-[[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methyl]imidazo[1,2-c]quinazolin-10-yl]-5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-difluorophenyl)ethanone
CID 138721222
4-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-6-pyridin-3-ylpyrido[3,4-d]pyrimidine
CID 145254736
23,25-Difluoro-3-methyl-26-(1-methylpyridin-1-ium-2-yl)-15-propan-2-yl-21-oxa-10,18,24-triaza-3-azoniaheptacyclo[15.12.0.02,10.04,9.011,16.020,29.022,27]nonacosa-1(29),2,4,6,8,11,13,15,17,19,22,24,26-tridecaene
CID 146857712
23,25-Difluoro-3-methyl-26-[(1-methylpyridin-1-ium-2-yl)methyl]-15-propan-2-yl-21-oxa-10,18,24-triaza-3-azoniaheptacyclo[15.12.0.02,10.04,9.011,16.020,29.022,27]nonacosa-1(29),2,4,6,8,11,13,15,17,19,22,24,26-tridecaene
CID 148749802
2-[6-[[[2-[2-Amino-8-(1,1-difluoroethoxy)quinazolin-4-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol;2-[6-[[4-(2-amino-7-methylquinazolin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol;tris(2-[6-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol);2-[6-[[[2-(2-aminoquinazolin-4-yl)-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol
CID 157054160
1-Tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
CID 157198497
2-Cyclopropyl-4-methoxy-6,7-dimethylquinazoline;2,4-dimethoxy-7-methylquinazoline;2-ethoxy-4-methoxy-7-methylquinazoline;2-imidazol-1-yl-4-methoxy-7-methylquinazoline;4-methoxy-2,6-dimethylquinazoline;4-methoxy-6,7-dimethyl-2-(trifluoromethyl)quinazoline;4-methoxy-6-methyl-2-phenylquinazoline;4-methoxy-7-methyl-2-pyrazol-1-ylquinazoline;4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;4-(4-methoxy-7-methylquinazolin-2-yl)morpholine;4-methoxy-2-phenylquinazoline
CID 157284383
N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;bis(1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine);1-methyl-3-propan-2-ylbenzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;3-methyl-5-(trifluoromethyl)pyridine;N,N,3-trimethyl-5-(trifluoromethyl)aniline
CID 157399838
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157416471
8-(3,4-Difluorophenyl)-2-methyl-7,10-dihydropyrido[3,2-h][2,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine
CID 157628974

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine (CID 161004567) is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine is CC(C)c1cc2ccccc2cn1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.
What is the InChIKey of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is TWIHOZLBKRPOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C15H22.C14H21N.C14H20.2C13H19NO.2C13H19N.2C12H13N.2C11H12N2.3C10H14.2C9H10F3N.3C9H13N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;2*3-9H,1-2H3;2*3-8H,1-2H3;3*4-8H,1-3H3;2*3-6H,1-2H3;3*4-7H,1-3H3.
What are the key properties of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 3469.09 g/mol, XLogP of 65.41, 29 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161004567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).