4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene

C190H360F5N19O6S — CID 157252311

IUPAC4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
SMILESCC(C)C(C)c1cnn(C)c1.CC(C)C(C)c1ncccn1.CC(C)CC(C)N.CC(C)CC1(F)CCNC1.CC(C)CC1(F)CCNCC1.CC(C)CC12CCCC1C2.CC(C)CC1CC1.CC(C)CC1CCCCN1.CC(C)CC1CCCCO1.CC(C)CC1CCCN1.CC(C)CC1CCNC1.CC(C)CCC1C2CNCC12.CC(C)CCN.CC(C)CCN1CCCC1=O.CC(C)CCS(C)(=O)=O.CC(C)CCc1ccccn1.CC(C)Cc1ccccc1C(F)(F)F.CC(C)Cc1cncn1C.CC(C)Cc1cnn(C)c1.CCC(C)C.COC(C)CCC(C)C.COc1ccccc1CC(C)C.[C-]#[N+]CC(C)C(C)C
InChIInChI=1S/C11H13F3.C11H16O.C10H19N.C10H15N.C10H18.C9H18FN.C9H16N2.C9H14N2.C9H17NO.C9H19N.C9H18O.C8H16FN.2C8H14N2.2C8H17N.C8H18O.C7H13N.C7H14.C6H15N.C6H14O2S.C5H13N.C5H12/c1-8(2)7-9-5-3-4-6-10(9)11(12,13)14;1-9(2)8-10-6-4-5-7-11(10)12-3;1-7(2)3-4-8-9-5-11-6-10(8)9;1-9(2)6-7-10-5-3-4-8-11-10;1-8(2)6-10-5-3-4-9(10)7-10;1-8(2)7-9(10)3-5-11-6-4-9;1-7(2)8(3)9-5-10-11(4)6-9;1-7(2)8(3)9-10-5-4-6-11-9;1-8(2)5-7-10-6-3-4-9(10)11;2*1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8(9)3-4-10-6-8;1-7(2)4-8-5-9-6-10(8)3;1-7(2)4-8-5-9-10(3)6-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-6-8(3)9-4;1-6(2)7(3)5-8-4;1-6(2)5-7-3-4-7;1-5(2)4-6(3)7;1-6(2)4-5-9(3,7)8;1-5(2)3-4-6;1-4-5(2)3/h3-6,8H,7H2,1-2H3;4-7,9H,8H2,1-3H3;7-11H,3-6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;8-9H,3-7H2,1-2H3;8,11H,3-7H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;8H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7,10H,3-6H2,1-2H3;2*5-7H,4H2,1-3H3;2*7-9H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-3H3;6-7H,3-5H2,1-2H3;5-6H,4,7H2,1-3H3;6H,4-5H2,1-3H3;5H,3-4,6H2,1-2H3;5H,4H2,1-3H3
InChIKeyAWMDSXLCCVSMCT-UHFFFAOYSA-N
MW3134.15 g/mol
LogP48.55
Rot. Bonds52

About 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene

4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene (PubChem CID 157252311) has the molecular formula C190H360F5N19O6S and a molecular weight of 3134.15 g/mol. Its IUPAC name is 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
PubChem CID157252311
Molecular FormulaC190H360F5N19O6S
Molecular Weight3134.15 g/mol
Exact Mass3131.81
IUPAC Name4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
SMILESCC(C)C(C)c1cnn(C)c1.CC(C)C(C)c1ncccn1.CC(C)CC(C)N.CC(C)CC1(F)CCNC1.CC(C)CC1(F)CCNCC1.CC(C)CC12CCCC1C2.CC(C)CC1CC1.CC(C)CC1CCCCN1.CC(C)CC1CCCCO1.CC(C)CC1CCCN1.CC(C)CC1CCNC1.CC(C)CCC1C2CNCC12.CC(C)CCN.CC(C)CCN1CCCC1=O.CC(C)CCS(C)(=O)=O.CC(C)CCc1ccccn1.CC(C)Cc1ccccc1C(F)(F)F.CC(C)Cc1cncn1C.CC(C)Cc1cnn(C)c1.CCC(C)C.COC(C)CCC(C)C.COc1ccccc1CC(C)C.[C-]#[N+]CC(C)C(C)C
InChIInChI=1S/C11H13F3.C11H16O.C10H19N.C10H15N.C10H18.C9H18FN.C9H16N2.C9H14N2.C9H17NO.C9H19N.C9H18O.C8H16FN.2C8H14N2.2C8H17N.C8H18O.C7H13N.C7H14.C6H15N.C6H14O2S.C5H13N.C5H12/c1-8(2)7-9-5-3-4-6-10(9)11(12,13)14;1-9(2)8-10-6-4-5-7-11(10)12-3;1-7(2)3-4-8-9-5-11-6-10(8)9;1-9(2)6-7-10-5-3-4-8-11-10;1-8(2)6-10-5-3-4-9(10)7-10;1-8(2)7-9(10)3-5-11-6-4-9;1-7(2)8(3)9-5-10-11(4)6-9;1-7(2)8(3)9-10-5-4-6-11-9;1-8(2)5-7-10-6-3-4-9(10)11;2*1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8(9)3-4-10-6-8;1-7(2)4-8-5-9-6-10(8)3;1-7(2)4-8-5-9-10(3)6-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-6-8(3)9-4;1-6(2)7(3)5-8-4;1-6(2)5-7-3-4-7;1-5(2)4-6(3)7;1-6(2)4-5-9(3,7)8;1-5(2)3-4-6;1-4-5(2)3/h3-6,8H,7H2,1-2H3;4-7,9H,8H2,1-3H3;7-11H,3-6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;8-9H,3-7H2,1-2H3;8,11H,3-7H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;8H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7,10H,3-6H2,1-2H3;2*5-7H,4H2,1-3H3;2*7-9H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-3H3;6-7H,3-5H2,1-2H3;5-6H,4,7H2,1-3H3;6H,4-5H2,1-3H3;5H,3-4,6H2,1-2H3;5H,4H2,1-3H3
InChIKeyAWMDSXLCCVSMCT-UHFFFAOYSA-N
XLogP48.55
TPSA302.85 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds52
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003134.15
LogP ≤ 548.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

1,3-Dimethyl-4-(2-methylpropyl)imidazol-1-ium;1-methoxy-2-(2-methylpropyl)benzene;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-(2-methylpropyl)bicyclo[3.1.0]hexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
CID 157804593
4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane
CID 158561895
[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 163762527

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene (CID 157252311) is 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene is CC(C)C(C)c1cnn(C)c1.CC(C)C(C)c1ncccn1.CC(C)CC(C)N.CC(C)CC1(F)CCNC1.CC(C)CC1(F)CCNCC1.CC(C)CC12CCCC1C2.CC(C)CC1CC1.CC(C)CC1CCCCN1.CC(C)CC1CCCCO1.CC(C)CC1CCCN1.CC(C)CC1CCNC1.CC(C)CCC1C2CNCC12.CC(C)CCN.CC(C)CCN1CCCC1=O.CC(C)CCS(C)(=O)=O.CC(C)CCc1ccccn1.CC(C)Cc1ccccc1C(F)(F)F.CC(C)Cc1cncn1C.CC(C)Cc1cnn(C)c1.CCC(C)C.COC(C)CCC(C)C.COc1ccccc1CC(C)C.[C-]#[N+]CC(C)C(C)C.
What is the InChIKey of 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene?
The InChIKey is AWMDSXLCCVSMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3.C11H16O.C10H19N.C10H15N.C10H18.C9H18FN.C9H16N2.C9H14N2.C9H17NO.C9H19N.C9H18O.C8H16FN.2C8H14N2.2C8H17N.C8H18O.C7H13N.C7H14.C6H15N.C6H14O2S.C5H13N.C5H12/c1-8(2)7-9-5-3-4-6-10(9)11(12,13)14;1-9(2)8-10-6-4-5-7-11(10)12-3;1-7(2)3-4-8-9-5-11-6-10(8)9;1-9(2)6-7-10-5-3-4-8-11-10;1-8(2)6-10-5-3-4-9(10)7-10;1-8(2)7-9(10)3-5-11-6-4-9;1-7(2)8(3)9-5-10-11(4)6-9;1-7(2)8(3)9-10-5-4-6-11-9;1-8(2)5-7-10-6-3-4-9(10)11;2*1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8(9)3-4-10-6-8;1-7(2)4-8-5-9-6-10(8)3;1-7(2)4-8-5-9-10(3)6-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-6-8(3)9-4;1-6(2)7(3)5-8-4;1-6(2)5-7-3-4-7;1-5(2)4-6(3)7;1-6(2)4-5-9(3,7)8;1-5(2)3-4-6;1-4-5(2)3/h3-6,8H,7H2,1-2H3;4-7,9H,8H2,1-3H3;7-11H,3-6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;8-9H,3-7H2,1-2H3;8,11H,3-7H2,1-2H3;5-8H,1-4H3;4-8H,1-3H3;8H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7,10H,3-6H2,1-2H3;2*5-7H,4H2,1-3H3;2*7-9H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-3H3;6-7H,3-5H2,1-2H3;5-6H,4,7H2,1-3H3;6H,4-5H2,1-3H3;5H,3-4,6H2,1-2H3;5H,4H2,1-3H3.
What are the key properties of 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene?
4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene has a molecular weight of 3134.15 g/mol, XLogP of 48.55, 52 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 157252311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).