1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine

C191H298ClF5N12O9 — CID 159022390

IUPAC1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine
SMILESC=C(CC(C)C)N(C)CC.C=C(CC(C)C)NC(C)C.CC(C)CC(=O)N1CCNC(=O)C1.CC(C)CC(=O)NC1CCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CCCc1ccc(C(F)(F)F)nc1.CC(C)CCCc1ccc(Cl)cc1.Cc1ccc(C(C)(C)CC(C)C)cc1.Cc1ccc(CC(C)C(C)C)cc1.Cc1ccc(CCC(=O)C(C)C)cc1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCCC(C)C)cn1.Cc1ncc(CCC(C)C)cn1
InChIInChI=1S/C14H22.C13H18O.C13H20.C12H17Cl.C12H16F3N.C12H17NO.C12H19N.C12H18.C11H14FNO.C11H13FO.C11H21NO.C11H14O.C10H16N2.C10H19NO.C9H16N2O2.2C9H19N/c1-11(2)10-14(4,5)13-8-6-12(3)7-9-13;1-10(2)13(14)9-8-12-6-4-11(3)5-7-12;1-10(2)12(4)9-13-7-5-11(3)6-8-13;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-9(2)4-3-5-10-6-7-11(16-8-10)12(13,14)15;1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-10(2)5-4-6-12-8-7-11(3)13-9-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(13)12-10-6-4-3-5-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)7-10(12)11-9-5-3-4-6-9;1-7(2)5-9(13)11-4-3-10-8(12)6-11;1-7(2)6-9(5)10-8(3)4;1-6-10(5)9(4)7-8(2)3/h6-9,11H,10H2,1-5H3;4-7,10H,8-9H2,1-3H3;5-8,10,12H,9H2,1-4H3;6-10H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;7-10H,4-6H2,1-3H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3;6-8H,4-5H2,1-3H3;8-9H,3-7H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,10,12);7-8,10H,5-6H2,1-4H3;8H,4,6-7H2,1-3,5H3
InChIKeyJTWBBMWXQJLWKV-UHFFFAOYSA-N
MW3037.00 g/mol
LogP49.96
Rot. Bonds57

About 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine

1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine (PubChem CID 159022390) has the molecular formula C191H298ClF5N12O9 and a molecular weight of 3037.00 g/mol. Its IUPAC name is 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine.

Molecular Properties

Compound Name1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine
PubChem CID159022390
Molecular FormulaC191H298ClF5N12O9
Molecular Weight3037.00 g/mol
Exact Mass3034.28
IUPAC Name1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine
SMILESC=C(CC(C)C)N(C)CC.C=C(CC(C)C)NC(C)C.CC(C)CC(=O)N1CCNC(=O)C1.CC(C)CC(=O)NC1CCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CCCc1ccc(C(F)(F)F)nc1.CC(C)CCCc1ccc(Cl)cc1.Cc1ccc(C(C)(C)CC(C)C)cc1.Cc1ccc(CC(C)C(C)C)cc1.Cc1ccc(CCC(=O)C(C)C)cc1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCCC(C)C)cn1.Cc1ncc(CCC(C)C)cn1
InChIInChI=1S/C14H22.C13H18O.C13H20.C12H17Cl.C12H16F3N.C12H17NO.C12H19N.C12H18.C11H14FNO.C11H13FO.C11H21NO.C11H14O.C10H16N2.C10H19NO.C9H16N2O2.2C9H19N/c1-11(2)10-14(4,5)13-8-6-12(3)7-9-13;1-10(2)13(14)9-8-12-6-4-11(3)5-7-12;1-10(2)12(4)9-13-7-5-11(3)6-8-13;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-9(2)4-3-5-10-6-7-11(16-8-10)12(13,14)15;1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-10(2)5-4-6-12-8-7-11(3)13-9-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(13)12-10-6-4-3-5-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)7-10(12)11-9-5-3-4-6-9;1-7(2)5-9(13)11-4-3-10-8(12)6-11;1-7(2)6-9(5)10-8(3)4;1-6-10(5)9(4)7-8(2)3/h6-9,11H,10H2,1-5H3;4-7,10H,8-9H2,1-3H3;5-8,10,12H,9H2,1-4H3;6-10H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;7-10H,4-6H2,1-3H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3;6-8H,4-5H2,1-3H3;8-9H,3-7H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,10,12);7-8,10H,5-6H2,1-4H3;8H,4,6-7H2,1-3,5H3
InChIKeyJTWBBMWXQJLWKV-UHFFFAOYSA-N
XLogP49.96
TPSA284.71 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds57
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003037.00
LogP ≤ 549.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[2-(4-Benzylpiperazin-1-yl)pyrimidin-4-yl]benzamide;4-[2-[(3,5-dichlorophenyl)methylamino]pyrimidin-4-yl]benzamide;4-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]benzamide
CID 18469967
N-[amino-[4-(2-chloro-3-pyridinyl)-5-fluoropyrimidin-2-yl]methyl]-3-[[3-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]amino]-4-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 87220097
[3-[[2-[2-[2-[[(5-Chloropyridin-2-yl)amino]methyl]-3-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrimidin-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 123893427
[4-[2-Amino-5-[2-[4-[4-[4-[2-amino-5-[2-[4-[4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-3-fluorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-6-methyl-3-pyridinyl]piperidine-1-carbonyl]-3-chlorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-3-pyridinyl]piperidin-1-yl]-[4-[5-[2-(6-amino-2-methyl-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]methanone
CID 123896323
N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 129078651
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(4,4-difluoropiperidin-1-yl)methanone;4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;ethane
CID 144227752
8-[4-[6-[2-[3-chloro-4-[1,7-diethyl-8-(3-fluoro-4-piperazin-1-ylanilino)-2-oxo-6H-pyrido[2,3-b]azepin-3-yl]phenyl]pyrimidin-4-yl]piperidin-3-yl]anilino]-3-(2-chloro-4-pyrimidin-2-ylphenyl)-1,7-diethyl-6H-pyrido[2,3-b]azepin-2-one
CID 145549527
[5-methyl-2-(6-methyl-3-pyridinyl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;(5-methyl-2-pyrimidin-5-ylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 145622390
N-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;methane;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
CID 157060273
4-[[4-[[(1S,2S)-2-(2-fluoroethylcarbamoyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1S,2S)-2-(methylcarbamoyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 157099753
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967
[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 157127462

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine?
The IUPAC name of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine (CID 159022390) is 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine.
What is the SMILES notation for 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine?
The canonical SMILES for 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine is C=C(CC(C)C)N(C)CC.C=C(CC(C)C)NC(C)C.CC(C)CC(=O)N1CCNC(=O)C1.CC(C)CC(=O)NC1CCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CCCc1ccc(C(F)(F)F)nc1.CC(C)CCCc1ccc(Cl)cc1.Cc1ccc(C(C)(C)CC(C)C)cc1.Cc1ccc(CC(C)C(C)C)cc1.Cc1ccc(CCC(=O)C(C)C)cc1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCCC(C)C)cn1.Cc1ncc(CCC(C)C)cn1.
What is the InChIKey of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine?
The InChIKey is JTWBBMWXQJLWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C13H18O.C13H20.C12H17Cl.C12H16F3N.C12H17NO.C12H19N.C12H18.C11H14FNO.C11H13FO.C11H21NO.C11H14O.C10H16N2.C10H19NO.C9H16N2O2.2C9H19N/c1-11(2)10-14(4,5)13-8-6-12(3)7-9-13;1-10(2)13(14)9-8-12-6-4-11(3)5-7-12;1-10(2)12(4)9-13-7-5-11(3)6-8-13;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-9(2)4-3-5-10-6-7-11(16-8-10)12(13,14)15;1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-10(2)5-4-6-12-8-7-11(3)13-9-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)7-11(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(13)12-10-6-4-3-5-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)7-10(12)11-9-5-3-4-6-9;1-7(2)5-9(13)11-4-3-10-8(12)6-11;1-7(2)6-9(5)10-8(3)4;1-6-10(5)9(4)7-8(2)3/h6-9,11H,10H2,1-5H3;4-7,10H,8-9H2,1-3H3;5-8,10,12H,9H2,1-4H3;6-10H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;7-10H,4-6H2,1-3H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3;6-8H,4-5H2,1-3H3;8-9H,3-7H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,10,12);7-8,10H,5-6H2,1-4H3;8H,4,6-7H2,1-3,5H3.
What are the key properties of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine?
1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine has a molecular weight of 3037.00 g/mol, XLogP of 49.96, 57 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3-methylbutanamide;N-cyclopentyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;2-methyl-5-(4-methylpentyl)pyridine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine is sourced from PubChem (CID 159022390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).