1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide

C183H304ClN23O4S2 — CID 162192224

IUPAC1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCC(CN)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CCCC(CN)C1.CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(C(N)=O)s1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccnc1N.CC(C)(C)c1cnc(N)nc1N.CC(C)(C)c1csc(N)n1.CCCc1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)c(Cl)c1.COc1ccc(CN)cc1C(C)(C)C.Cc1ccc(CN)cc1C(C)(C)C
InChIInChI=1S/C13H15NO.C13H20.C12H17Cl.C12H19NO.C12H19N.C12H16O.C11H23N.C10H22N2.C10H20.4C9H14N2.C9H13NOS.2C9H19N.C8H14N4.C7H12N2S/c1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-5-9-6-7-10(11(13)8-9)12(2,3)4;1-12(2,3)10-7-9(8-13)5-6-11(10)14-4;1-9-5-6-10(8-13)7-11(9)12(2,3)4;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)12-6-4-5-9(7-11)8-12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;2*1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-4-6(12-7)8(10)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)5-4-11-7(10)12-6(5)9;1-7(2,3)5-4-10-6(8)9-5/h4-9H,1-3H3;7-10H,5-6H2,1-4H3;6-8H,5H2,1-4H3;5-7H,8,13H2,1-4H3;5-7H,8,13H2,1-4H3;5-8H,1-4H3;9-10H,4-8,12H2,1-3H3;9H,4-8,11H2,1-3H3;9H,4-8H2,1-3H3;4*4-6H,1-3H3,(H2,10,11);4-5H,1-3H3,(H2,10,11);2*8,10H,4-7H2,1-3H3;4H,1-3H3,(H4,9,10,11,12);4H,1-3H3,(H2,8,9)
InChIKeyZQLMLAZDDHATQM-UHFFFAOYSA-N
MW2990.19 g/mol
LogP45.05
Rot. Bonds11

About 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide

1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide (PubChem CID 162192224) has the molecular formula C183H304ClN23O4S2 and a molecular weight of 2990.19 g/mol. Its IUPAC name is 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide
PubChem CID162192224
Molecular FormulaC183H304ClN23O4S2
Molecular Weight2990.19 g/mol
Exact Mass2987.34
IUPAC Name1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCC(CN)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CCCC(CN)C1.CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(C(N)=O)s1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccnc1N.CC(C)(C)c1cnc(N)nc1N.CC(C)(C)c1csc(N)n1.CCCc1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)c(Cl)c1.COc1ccc(CN)cc1C(C)(C)C.Cc1ccc(CN)cc1C(C)(C)C
InChIInChI=1S/C13H15NO.C13H20.C12H17Cl.C12H19NO.C12H19N.C12H16O.C11H23N.C10H22N2.C10H20.4C9H14N2.C9H13NOS.2C9H19N.C8H14N4.C7H12N2S/c1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-5-9-6-7-10(11(13)8-9)12(2,3)4;1-12(2,3)10-7-9(8-13)5-6-11(10)14-4;1-9-5-6-10(8-13)7-11(9)12(2,3)4;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)12-6-4-5-9(7-11)8-12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;2*1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-4-6(12-7)8(10)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)5-4-11-7(10)12-6(5)9;1-7(2,3)5-4-10-6(8)9-5/h4-9H,1-3H3;7-10H,5-6H2,1-4H3;6-8H,5H2,1-4H3;5-7H,8,13H2,1-4H3;5-7H,8,13H2,1-4H3;5-8H,1-4H3;9-10H,4-8,12H2,1-3H3;9H,4-8,11H2,1-3H3;9H,4-8H2,1-3H3;4*4-6H,1-3H3,(H2,10,11);4-5H,1-3H3,(H2,10,11);2*8,10H,4-7H2,1-3H3;4H,1-3H3,(H4,9,10,11,12);4H,1-3H3,(H2,8,9)
InChIKeyZQLMLAZDDHATQM-UHFFFAOYSA-N
XLogP45.05
TPSA499.17 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds11
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002990.19
LogP ≤ 545.05
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-Chloro-4-(furan-3-yl)phenyl]-8-phenyl-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(furan-3-yl)-2-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[4-(1,3-oxazol-5-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 161201015
2-Amino-5-[3-chloro-5-(2-fluoropyrimidin-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(furan-3-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(1,3-oxazol-4-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(1,3-thiazol-4-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 157752417
6-[2-chloro-4-(2-methoxyphenyl)phenyl]-8-ethyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 158058865
6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159308190
2-tert-butylpyrimidine;1-chloro-4-[(E)-3,3-dimethylbut-1-enyl]benzene;2-chloro-5-[(E)-3,3-dimethylbut-1-enyl]thiophene;4-chloro-N-(4,4-dimethylpentyl)benzamide;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-4-propan-2-yl-3H-pyrrole;1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene;N-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]methanesulfonamide;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N-(4,4-dimethylpentyl)benzamide;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-methoxy-2-propan-2-yl-1,3-thiazole;[(E)-3-methylbut-1-enyl]benzene;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;5-methyl-4-propan-2-yl-3H-pyrrole
CID 159459899
6-[2-Chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 160477529
3-Tert-butylaniline;4-tert-butylaniline;3-tert-butylbenzamide;1-tert-butyl-2-chloro-4-ethylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;(4-tert-butyl-3-chlorophenyl)methanamine;5-tert-butylisoquinolin-1-amine;6-tert-butylisoquinoline;(3-tert-butyl-4-methoxyphenyl)methanamine;7-tert-butyl-2-methylquinazolin-4-amine;1-tert-butyl-3-methylsulfanylbenzene;2-tert-butylnaphthalene;(3-tert-butylphenyl)methanamine;5-(4-tert-butylphenyl)-1,3-oxazole;6-tert-butylquinazoline-2,4-diamine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 162215387

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide?
The IUPAC name of 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide (CID 162192224) is 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide.
What is the SMILES notation for 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide?
The canonical SMILES for 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide is CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCC(CN)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CCCC(CN)C1.CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(C(N)=O)s1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccnc1N.CC(C)(C)c1cnc(N)nc1N.CC(C)(C)c1csc(N)n1.CCCc1ccc(C(C)(C)C)cc1.CCc1ccc(C(C)(C)C)c(Cl)c1.COc1ccc(CN)cc1C(C)(C)C.Cc1ccc(CN)cc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide?
The InChIKey is ZQLMLAZDDHATQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C13H20.C12H17Cl.C12H19NO.C12H19N.C12H16O.C11H23N.C10H22N2.C10H20.4C9H14N2.C9H13NOS.2C9H19N.C8H14N4.C7H12N2S/c1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-5-9-6-7-10(11(13)8-9)12(2,3)4;1-12(2,3)10-7-9(8-13)5-6-11(10)14-4;1-9-5-6-10(8-13)7-11(9)12(2,3)4;1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)12-6-4-5-9(7-11)8-12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;2*1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-4-6(12-7)8(10)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)5-4-11-7(10)12-6(5)9;1-7(2,3)5-4-10-6(8)9-5/h4-9H,1-3H3;7-10H,5-6H2,1-4H3;6-8H,5H2,1-4H3;5-7H,8,13H2,1-4H3;5-7H,8,13H2,1-4H3;5-8H,1-4H3;9-10H,4-8,12H2,1-3H3;9H,4-8,11H2,1-3H3;9H,4-8H2,1-3H3;4*4-6H,1-3H3,(H2,10,11);4-5H,1-3H3,(H2,10,11);2*8,10H,4-7H2,1-3H3;4H,1-3H3,(H4,9,10,11,12);4H,1-3H3,(H2,8,9).
What are the key properties of 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide?
1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide has a molecular weight of 2990.19 g/mol, XLogP of 45.05, 11 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-chloro-4-ethylbenzene;tert-butylcyclohexane;(4-tert-butylcyclohexyl)methanamine;(3-tert-butyl-4-methoxyphenyl)methanamine;(3-tert-butyl-4-methylphenyl)methanamine;1-(4-tert-butylphenyl)ethanone;5-(4-tert-butylphenyl)-1,3-oxazole;3-tert-butylpiperidine;4-tert-butylpiperidine;(1-tert-butylpiperidin-3-yl)methanamine;1-tert-butyl-4-propylbenzene;3-tert-butylpyridin-2-amine;5-tert-butylpyridin-2-amine;bis(6-tert-butylpyridin-2-amine);5-tert-butylpyrimidine-2,4-diamine;4-tert-butyl-1,3-thiazol-2-amine;5-tert-butylthiophene-2-carboxamide is sourced from PubChem (CID 162192224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).