5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene

C172H238ClF4N16O2+ — CID 161124713

IUPAC5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C=C(N)c1cncc(C(C)C)c1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc[n+]1C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncnc1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1
InChIInChI=1S/C10H11F3.C10H14N2.C10H14O.3C10H14.C9H11Cl.C9H11F.C9H13NO.C9H14N.3C9H13N.C9H12.C8H10N4.3C8H11N.C7H10N2.CH4/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-10(8(3)11)6-12-5-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-5-7-10(9)3;3*1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(5-10-8)11-12-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;/h3-7H,1-2H3;4-7H,3,11H2,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;2*3-7H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;1H4/q;;;;;;;;;+1;;;;;;;;;;
InChIKeyDKKJHTGPXGAGQX-UHFFFAOYSA-N
MW2673.35 g/mol
LogP50.75
Rot. Bonds23

About 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene

5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 161124713) has the molecular formula C172H238ClF4N16O2+ and a molecular weight of 2673.35 g/mol. Its IUPAC name is 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID161124713
Molecular FormulaC172H238ClF4N16O2+
Molecular Weight2673.35 g/mol
Exact Mass2670.86
IUPAC Name5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C=C(N)c1cncc(C(C)C)c1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc[n+]1C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncnc1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1
InChIInChI=1S/C10H11F3.C10H14N2.C10H14O.3C10H14.C9H11Cl.C9H11F.C9H13NO.C9H14N.3C9H13N.C9H12.C8H10N4.3C8H11N.C7H10N2.CH4/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-10(8(3)11)6-12-5-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-5-7-10(9)3;3*1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(5-10-8)11-12-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;/h3-7H,1-2H3;4-7H,3,11H2,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;2*3-7H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;1H4/q;;;;;;;;;+1;;;;;;;;;;
InChIKeyDKKJHTGPXGAGQX-UHFFFAOYSA-N
XLogP50.75
TPSA238.91 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002673.35
LogP ≤ 550.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

2-(4-Tert-butylphenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine;2-(4-chlorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 88206385
6-[2-chloro-6-fluoro-4-[[4-(4-fluorophenyl)-2-methoxy-6-pyrimidin-2-yl-3-pyridinyl]methylidyneazaniumyl]phenyl]-N-[6-[5-cyano-4-(4-fluorophenyl)-6-methoxy-2-pyridinyl]-5-methyl-3-pyridinyl]-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrilium
CID 154644680
2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine
CID 157084413
5-(4-Chlorophenyl)-2-propan-2-ylpyridine;1,2-dichloro-4-propan-2-ylbenzene;5-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;5-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidine;5-(4-fluorophenyl)-2-propan-2-ylpyridine;5-(4-methylphenyl)-2-propan-2-ylpyridine;2-methyl-4-(6-propan-2-yl-3-pyridinyl)pyridine;1-phenoxy-4-propan-2-ylbenzene;4-propan-2-yl-1-[4-(trifluoromethyl)phenyl]imidazole;3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 157324956
4-[2,5-Bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157472919
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157653688
5-Butyl-2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pyrimidine;5-butyl-2-[3-fluoro-4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]pyrimidine;2-[4-(4-chloro-3,5-difluorophenyl)-3-fluorophenyl]-5-propylpyrimidine;2-[4-(4-chlorophenyl)-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[4-(difluoromethoxy)-3-fluorophenyl]-3-fluorophenyl]-5-ethylpyrimidine;2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-hexylpyrimidine;2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine;2-[4-(3,4-difluorophenyl)-3-fluorophenyl]-5-(5-fluoropentyl)pyrimidine;2-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-hexylpyrimidine;2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-pentylpyrimidine
CID 157823436
11-[2-(4-Chlorophenyl)ethyl]-15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene;11-[2-(4-methoxyphenyl)ethyl]-15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene;15-methyl-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraene
CID 157827176
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157867768
2-(2,4-Dimethylphenyl)pyridine;2-(2,5-dimethylphenyl)pyridine;3-(2,4-dimethylphenyl)pyridine;3-(2,5-dimethylphenyl)pyridine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)pyrimidine;2-fluoro-1,3-dimethyl-4-phenylbenzene;2-(3-fluoro-2,4-dimethylphenyl)pyridine;bis(2-(3-fluoro-2,4-dimethylphenyl)pyrimidine);2-(3-fluoro-5-methylphenyl)-3-methylpyrazine;2-(4-fluoro-2-methylphenyl)pyridine;3-(4-fluoro-2-methylphenyl)pyridine;2-(3-fluoro-2-methylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;methane;2-(4-methoxyphenyl)-3-methylpyrazine;2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 157885073
3-Chloro-2-propan-2-ylpyridine;5-chloro-4-propan-2-ylpyrimidine;3-fluoro-2-propan-2-ylpyridine;5-fluoro-4-propan-2-ylpyrimidine;methane;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(4-methyl-2-propan-2-ylpyridine);1-propan-2-yl-4-(trifluoromethoxy)benzene;bis(2-propan-2-yl-3-(trifluoromethoxy)pyridine);bis(2-propan-2-yl-3-(trifluoromethyl)pyridine)
CID 157896641
4-Ethyl-2-(4-methoxy-3-methylphenyl)pyrimidine;2-ethyl-6-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine;2-(4-methoxy-3-methylphenyl)-6-methylpyridin-3-amine;2-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 157931606

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 161124713) is 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene is C.C=C(N)c1cncc(C(C)C)c1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc[n+]1C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncnc1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.
What is the InChIKey of 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is DKKJHTGPXGAGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3.C10H14N2.C10H14O.3C10H14.C9H11Cl.C9H11F.C9H13NO.C9H14N.3C9H13N.C9H12.C8H10N4.3C8H11N.C7H10N2.CH4/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-10(8(3)11)6-12-5-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-5-7-10(9)3;3*1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(5-10-8)11-12-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;/h3-7H,1-2H3;4-7H,3,11H2,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;2*3-7H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;1H4/q;;;;;;;;;+1;;;;;;;;;;.
What are the key properties of 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 2673.35 g/mol, XLogP of 50.75, 23 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 161124713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).