2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole

C198H333N23O4S — CID 167547002

IUPAC2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)CCc1ccc(CC(C)C)cn1.CC(C)COc1ccc(CC(C)C)nc1.CC(C)Cc1ccc(C(C)C)nc1.CC(C)Cc1ccc(C(C)C)o1.CC(C)Cc1ccc(CC(C)C)nc1.CC(C)Cc1ccc(OC(C)C)nc1.CC(C)Cc1ccc(OC2CCN(C(C)C)C2)nc1.CC(C)Cc1ccnc(C(C)C)c1.CC(C)Cc1cn(CC(C)C)nn1.CC(C)Cc1nc(C(C)C)cs1.CC(C)Cn1cc2c(n1)CC(C(C)C)C2.CC(C)Cn1ncc2c1CC[C@@H]2C(C)C.CC(C)Cn1ncc2c1CC[C@H]2C(C)C.CCc1cn(C(C)C(C)C)nn1.Cc1cc(CC(C)C)c(C)n1C(C)C.Cc1cc(CC(C)C)c(C)n1CC(C)C
InChIInChI=1S/C16H26N2O.C14H25N.C14H23N.3C13H22N2.C13H21NO.C13H23N.C13H21N.C12H19NO.2C12H19N.C11H18O.C10H19N3.C10H17NS.C9H17N3/c1-12(2)9-14-5-6-16(17-10-14)19-15-7-8-18(11-15)13(3)4;1-10(2)7-14-8-12(5)15(13(14)6)9-11(3)4;1-11(2)5-7-14-8-6-13(10-15-14)9-12(3)4;1-9(2)7-15-8-12-5-11(10(3)4)6-13(12)14-15;2*1-9(2)8-15-13-6-5-11(10(3)4)12(13)7-14-15;1-10(2)7-12-5-6-13(8-14-12)15-9-11(3)4;1-9(2)7-13-8-11(5)14(10(3)4)12(13)6;1-10(2)7-12-5-6-13(14-9-12)8-11(3)4;1-9(2)7-11-5-6-12(13-8-11)14-10(3)4;1-9(2)7-11-5-6-13-12(8-11)10(3)4;1-9(2)7-11-5-6-12(10(3)4)13-8-11;1-8(2)7-10-5-6-11(12-10)9(3)4;1-8(2)5-10-7-13(12-11-10)6-9(3)4;1-7(2)5-10-11-9(6-12-10)8(3)4;1-5-9-6-12(11-10-9)8(4)7(2)3/h5-6,10,12-13,15H,7-9,11H2,1-4H3;8,10-11H,7,9H2,1-6H3;6,8,10-12H,5,7,9H2,1-4H3;8-11H,5-7H2,1-4H3;2*7,9-11H,5-6,8H2,1-4H3;5-6,8,10-11H,7,9H2,1-4H3;8-10H,7H2,1-6H3;5-6,9-11H,7-8H2,1-4H3;5-6,8-10H,7H2,1-4H3;2*5-6,8-10H,7H2,1-4H3;5-6,8-9H,7H2,1-4H3;7-9H,5-6H2,1-4H3;2*6-8H,5H2,1-4H3/t;;;;2*11-;;;;;;;;;;/m....10........../s1
InChIKeyBXOGLMOXNDQZRI-AHKMFOIFSA-N
MW3132.07 g/mol
LogP52.14
Rot. Bonds58

About 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole

2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole (PubChem CID 167547002) has the molecular formula C198H333N23O4S and a molecular weight of 3132.07 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole
PubChem CID167547002
Molecular FormulaC198H333N23O4S
Molecular Weight3132.07 g/mol
Exact Mass3129.63
IUPAC Name2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)CCc1ccc(CC(C)C)cn1.CC(C)COc1ccc(CC(C)C)nc1.CC(C)Cc1ccc(C(C)C)nc1.CC(C)Cc1ccc(C(C)C)o1.CC(C)Cc1ccc(CC(C)C)nc1.CC(C)Cc1ccc(OC(C)C)nc1.CC(C)Cc1ccc(OC2CCN(C(C)C)C2)nc1.CC(C)Cc1ccnc(C(C)C)c1.CC(C)Cc1cn(CC(C)C)nn1.CC(C)Cc1nc(C(C)C)cs1.CC(C)Cn1cc2c(n1)CC(C(C)C)C2.CC(C)Cn1ncc2c1CC[C@@H]2C(C)C.CC(C)Cn1ncc2c1CC[C@H]2C(C)C.CCc1cn(C(C)C(C)C)nn1.Cc1cc(CC(C)C)c(C)n1C(C)C.Cc1cc(CC(C)C)c(C)n1CC(C)C
InChIInChI=1S/C16H26N2O.C14H25N.C14H23N.3C13H22N2.C13H21NO.C13H23N.C13H21N.C12H19NO.2C12H19N.C11H18O.C10H19N3.C10H17NS.C9H17N3/c1-12(2)9-14-5-6-16(17-10-14)19-15-7-8-18(11-15)13(3)4;1-10(2)7-14-8-12(5)15(13(14)6)9-11(3)4;1-11(2)5-7-14-8-6-13(10-15-14)9-12(3)4;1-9(2)7-15-8-12-5-11(10(3)4)6-13(12)14-15;2*1-9(2)8-15-13-6-5-11(10(3)4)12(13)7-14-15;1-10(2)7-12-5-6-13(8-14-12)15-9-11(3)4;1-9(2)7-13-8-11(5)14(10(3)4)12(13)6;1-10(2)7-12-5-6-13(14-9-12)8-11(3)4;1-9(2)7-11-5-6-12(13-8-11)14-10(3)4;1-9(2)7-11-5-6-13-12(8-11)10(3)4;1-9(2)7-11-5-6-12(10(3)4)13-8-11;1-8(2)7-10-5-6-11(12-10)9(3)4;1-8(2)5-10-7-13(12-11-10)6-9(3)4;1-7(2)5-10-11-9(6-12-10)8(3)4;1-5-9-6-12(11-10-9)8(4)7(2)3/h5-6,10,12-13,15H,7-9,11H2,1-4H3;8,10-11H,7,9H2,1-6H3;6,8,10-12H,5,7,9H2,1-4H3;8-11H,5-7H2,1-4H3;2*7,9-11H,5-6,8H2,1-4H3;5-6,8,10-11H,7,9H2,1-4H3;8-10H,7H2,1-6H3;5-6,9-11H,7-8H2,1-4H3;5-6,8-10H,7H2,1-4H3;2*5-6,8-10H,7H2,1-4H3;5-6,8-9H,7H2,1-4H3;7-9H,5-6H2,1-4H3;2*6-8H,5H2,1-4H3/t;;;;2*11-;;;;;;;;;;/m....10........../s1
InChIKeyBXOGLMOXNDQZRI-AHKMFOIFSA-N
XLogP52.14
TPSA271.93 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds58
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003132.07
LogP ≤ 552.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

[9-[3-(3,5-Dimethylpyrazol-1-yl)propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;[9-[3-(5-methylfuran-2-yl)butyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;(2-methyl-1,3-thiazol-4-yl)-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 158019665
2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;5-(3-methylbutyl)-2-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;(5S)-2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole
CID 161808952

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole (CID 167547002) is 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole is CC(C)CCc1ccc(CC(C)C)cn1.CC(C)COc1ccc(CC(C)C)nc1.CC(C)Cc1ccc(C(C)C)nc1.CC(C)Cc1ccc(C(C)C)o1.CC(C)Cc1ccc(CC(C)C)nc1.CC(C)Cc1ccc(OC(C)C)nc1.CC(C)Cc1ccc(OC2CCN(C(C)C)C2)nc1.CC(C)Cc1ccnc(C(C)C)c1.CC(C)Cc1cn(CC(C)C)nn1.CC(C)Cc1nc(C(C)C)cs1.CC(C)Cn1cc2c(n1)CC(C(C)C)C2.CC(C)Cn1ncc2c1CC[C@@H]2C(C)C.CC(C)Cn1ncc2c1CC[C@H]2C(C)C.CCc1cn(C(C)C(C)C)nn1.Cc1cc(CC(C)C)c(C)n1C(C)C.Cc1cc(CC(C)C)c(C)n1CC(C)C.
What is the InChIKey of 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is BXOGLMOXNDQZRI-AHKMFOIFSA-N. The full InChI is InChI=1S/C16H26N2O.C14H25N.C14H23N.3C13H22N2.C13H21NO.C13H23N.C13H21N.C12H19NO.2C12H19N.C11H18O.C10H19N3.C10H17NS.C9H17N3/c1-12(2)9-14-5-6-16(17-10-14)19-15-7-8-18(11-15)13(3)4;1-10(2)7-14-8-12(5)15(13(14)6)9-11(3)4;1-11(2)5-7-14-8-6-13(10-15-14)9-12(3)4;1-9(2)7-15-8-12-5-11(10(3)4)6-13(12)14-15;2*1-9(2)8-15-13-6-5-11(10(3)4)12(13)7-14-15;1-10(2)7-12-5-6-13(8-14-12)15-9-11(3)4;1-9(2)7-13-8-11(5)14(10(3)4)12(13)6;1-10(2)7-12-5-6-13(14-9-12)8-11(3)4;1-9(2)7-11-5-6-12(13-8-11)14-10(3)4;1-9(2)7-11-5-6-13-12(8-11)10(3)4;1-9(2)7-11-5-6-12(10(3)4)13-8-11;1-8(2)7-10-5-6-11(12-10)9(3)4;1-8(2)5-10-7-13(12-11-10)6-9(3)4;1-7(2)5-10-11-9(6-12-10)8(3)4;1-5-9-6-12(11-10-9)8(4)7(2)3/h5-6,10,12-13,15H,7-9,11H2,1-4H3;8,10-11H,7,9H2,1-6H3;6,8,10-12H,5,7,9H2,1-4H3;8-11H,5-7H2,1-4H3;2*7,9-11H,5-6,8H2,1-4H3;5-6,8,10-11H,7,9H2,1-4H3;8-10H,7H2,1-6H3;5-6,9-11H,7-8H2,1-4H3;5-6,8-10H,7H2,1-4H3;2*5-6,8-10H,7H2,1-4H3;5-6,8-9H,7H2,1-4H3;7-9H,5-6H2,1-4H3;2*6-8H,5H2,1-4H3/t;;;;2*11-;;;;;;;;;;/m....10........../s1.
What are the key properties of 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole?
2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 3132.07 g/mol, XLogP of 52.14, 58 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)pyridine;1,4-bis(2-methylpropyl)triazole;2,5-dimethyl-1,3-bis(2-methylpropyl)pyrrole;2,5-dimethyl-3-(2-methylpropyl)-1-propan-2-ylpyrrole;4-ethyl-1-(3-methylbutan-2-yl)triazole;2-(3-methylbutyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropoxy)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;(4S)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;(4R)-1-(2-methylpropyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;2-(2-methylpropyl)-5-propan-2-ylfuran;5-(2-methylpropyl)-2-propan-2-yloxypyridine;4-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-propan-2-ylpyridine;5-(2-methylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 167547002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).