3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane

C191H321N29O6S3 — CID 158974509

IUPAC3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C/C=C/c1ccn[nH]1.CC(C)C1CC[C@@H](n2ccnc2)[C@@H]1O.CC(C)CC(C)n1cccn1.CC(C)CCCN1CCCC1=O.CC(C)CCCc1ccccn1.CC(C)CCCc1ccn(C)c1.CC(C)CCCc1ccn[nH]1.CC(C)CCN1C(=O)CSC1=O.CC(C)CCN1CCCC1=O.CC(C)CCSc1ncnn1C.CC(C)CCc1ccccn1.CC(C)C[C@H]1C[C@@H]1c1cn[nH]c1.CC(C)Cc1ccco1.CC(C)c1ccc(Cn2ccnc2)cc1.CCc1nnc(C(C)C)s1.Cc1[nH]ccc1/C=C/CC(C)C.Cc1[nH]ccc1CCCC(C)C.Cc1cc(C)n(CCC(C)C)n1.Cc1ccnn1CCC(C)C
InChIInChI=1S/C13H16N2.C11H18N2O.2C11H19N.2C11H17N.C10H16N2.C10H18N2.C10H19NO.C10H15N.3C9H16N2.C9H14N2.C9H17NO.C8H15N3S.C8H13NO2S.C8H12O.C7H12N2S.C7H16/c1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-8(2)9-3-4-10(11(9)14)13-6-5-12-7-13;1-10(2)5-4-6-11-7-8-12(3)9-11;2*1-9(2)5-4-6-11-7-8-12-10(11)3;1-10(2)6-5-8-11-7-3-4-9-12-11;1-7(2)3-8-4-10(8)9-5-11-12-6-9;1-8(2)5-6-12-10(4)7-9(3)11-12;1-9(2)5-3-7-11-8-4-6-10(11)12;1-9(2)6-7-10-5-3-4-8-11-10;1-8(2)5-7-11-9(3)4-6-10-11;1-8(2)7-9(3)11-6-4-5-10-11;2*1-8(2)4-3-5-9-6-7-10-11-9;1-8(2)5-7-10-6-3-4-9(10)11;1-7(2)4-5-12-8-9-6-10-11(8)3;1-6(2)3-4-9-7(10)5-12-8(9)11;1-7(2)6-8-4-3-5-9-8;1-4-6-8-9-7(10-6)5(2)3;1-6(2)7(3,4)5/h3-8,10-11H,9H2,1-2H3;5-11,14H,3-4H2,1-2H3;7-10H,4-6H2,1-3H3;7-9,12H,4-6H2,1-3H3;4,6-9,12H,5H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;5-8,10H,3-4H2,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3;9H,3-8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;4,6,8H,5,7H2,1-3H3;4-6,8-9H,7H2,1-3H3;6-8H,3-5H2,1-2H3,(H,10,11);3,5-8H,4H2,1-2H3,(H,10,11);8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;6H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3;5H,4H2,1-3H3;6H,1-5H3/b;;;;6-4+;;;;;;;;;5-3+;;;;;;/t;9?,10-,11-;;;;;8-,10-;;;;;;;;;;;;;/m.1....0............./s1
InChIKeyJOFKQBOWVGXOML-CMZYUHQMSA-N
MW3216.07 g/mol
LogP49.79
Rot. Bonds60

About 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane

3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane (PubChem CID 158974509) has the molecular formula C191H321N29O6S3 and a molecular weight of 3216.07 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane.

Molecular Properties

Compound Name3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane
PubChem CID158974509
Molecular FormulaC191H321N29O6S3
Molecular Weight3216.07 g/mol
Exact Mass3213.49
IUPAC Name3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C/C=C/c1ccn[nH]1.CC(C)C1CC[C@@H](n2ccnc2)[C@@H]1O.CC(C)CC(C)n1cccn1.CC(C)CCCN1CCCC1=O.CC(C)CCCc1ccccn1.CC(C)CCCc1ccn(C)c1.CC(C)CCCc1ccn[nH]1.CC(C)CCN1C(=O)CSC1=O.CC(C)CCN1CCCC1=O.CC(C)CCSc1ncnn1C.CC(C)CCc1ccccn1.CC(C)C[C@H]1C[C@@H]1c1cn[nH]c1.CC(C)Cc1ccco1.CC(C)c1ccc(Cn2ccnc2)cc1.CCc1nnc(C(C)C)s1.Cc1[nH]ccc1/C=C/CC(C)C.Cc1[nH]ccc1CCCC(C)C.Cc1cc(C)n(CCC(C)C)n1.Cc1ccnn1CCC(C)C
InChIInChI=1S/C13H16N2.C11H18N2O.2C11H19N.2C11H17N.C10H16N2.C10H18N2.C10H19NO.C10H15N.3C9H16N2.C9H14N2.C9H17NO.C8H15N3S.C8H13NO2S.C8H12O.C7H12N2S.C7H16/c1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-8(2)9-3-4-10(11(9)14)13-6-5-12-7-13;1-10(2)5-4-6-11-7-8-12(3)9-11;2*1-9(2)5-4-6-11-7-8-12-10(11)3;1-10(2)6-5-8-11-7-3-4-9-12-11;1-7(2)3-8-4-10(8)9-5-11-12-6-9;1-8(2)5-6-12-10(4)7-9(3)11-12;1-9(2)5-3-7-11-8-4-6-10(11)12;1-9(2)6-7-10-5-3-4-8-11-10;1-8(2)5-7-11-9(3)4-6-10-11;1-8(2)7-9(3)11-6-4-5-10-11;2*1-8(2)4-3-5-9-6-7-10-11-9;1-8(2)5-7-10-6-3-4-9(10)11;1-7(2)4-5-12-8-9-6-10-11(8)3;1-6(2)3-4-9-7(10)5-12-8(9)11;1-7(2)6-8-4-3-5-9-8;1-4-6-8-9-7(10-6)5(2)3;1-6(2)7(3,4)5/h3-8,10-11H,9H2,1-2H3;5-11,14H,3-4H2,1-2H3;7-10H,4-6H2,1-3H3;7-9,12H,4-6H2,1-3H3;4,6-9,12H,5H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;5-8,10H,3-4H2,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3;9H,3-8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;4,6,8H,5,7H2,1-3H3;4-6,8-9H,7H2,1-3H3;6-8H,3-5H2,1-2H3,(H,10,11);3,5-8H,4H2,1-2H3,(H,10,11);8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;6H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3;5H,4H2,1-3H3;6H,1-5H3/b;;;;6-4+;;;;;;;;;5-3+;;;;;;/t;9?,10-,11-;;;;;8-,10-;;;;;;;;;;;;;/m.1....0............./s1
InChIKeyJOFKQBOWVGXOML-CMZYUHQMSA-N
XLogP49.79
TPSA405.29 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds60
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003216.07
LogP ≤ 549.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane with MolForge

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Related Compounds

3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;1-(4-methylpentyl)pyrrolidine-2,5-dione;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-4H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(4H-pyrazol-4-yl)pentane-1,2-diol;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane
CID 157155175
3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane
CID 158219594
(1R,2S)-2-(dimethylamino)-4-methyl-1-(1H-pyrazol-4-yl)pentan-1-ol;3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-2-(4-methylpentyl)imidazole;1-methyl-2-(4-methylpentyl)pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)-1H-imidazole;5-(4-methylpentyl)-1H-pyrazole;bis(2-(4-methylpentyl)pyridine);4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;(1R,2S)-4-methyl-1-(1H-pyrazol-4-yl)pentane-1,2-diol;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
CID 158721463
2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;1,5-di(propan-2-yl)pyridin-2-one;2,4-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 160344429
2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)pyridazin-1-ium;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;1,5-di(propan-2-yl)pyridin-2-one;2,4-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 161727965
butane;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;3-ethylfuran;5-ethyl-1H-imidazole;5-ethyl-1-methylimidazole;4-ethyl-1-methylpyrazole;4-ethyl-1H-pyrazole;4-ethylpyridine;3-fluoro-3-methyl-1-propylazetidine;methane;methyl-methylidene-oxo-propyl-lambda6-sulfane;4-methyloxane;1-methyl-1-propylcyclobutane;pentan-2-one;propane;1-propylpyrazole;1-propylpyrrole;1-propylpyrrolidine;1-propylpyrrolidin-2-one
CID 162140442

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane?
The IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane (CID 158974509) is 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane.
What is the SMILES notation for 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane?
The canonical SMILES for 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CC(C)C/C=C/c1ccn[nH]1.CC(C)C1CC[C@@H](n2ccnc2)[C@@H]1O.CC(C)CC(C)n1cccn1.CC(C)CCCN1CCCC1=O.CC(C)CCCc1ccccn1.CC(C)CCCc1ccn(C)c1.CC(C)CCCc1ccn[nH]1.CC(C)CCN1C(=O)CSC1=O.CC(C)CCN1CCCC1=O.CC(C)CCSc1ncnn1C.CC(C)CCc1ccccn1.CC(C)C[C@H]1C[C@@H]1c1cn[nH]c1.CC(C)Cc1ccco1.CC(C)c1ccc(Cn2ccnc2)cc1.CCc1nnc(C(C)C)s1.Cc1[nH]ccc1/C=C/CC(C)C.Cc1[nH]ccc1CCCC(C)C.Cc1cc(C)n(CCC(C)C)n1.Cc1ccnn1CCC(C)C.
What is the InChIKey of 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane?
The InChIKey is JOFKQBOWVGXOML-CMZYUHQMSA-N. The full InChI is InChI=1S/C13H16N2.C11H18N2O.2C11H19N.2C11H17N.C10H16N2.C10H18N2.C10H19NO.C10H15N.3C9H16N2.C9H14N2.C9H17NO.C8H15N3S.C8H13NO2S.C8H12O.C7H12N2S.C7H16/c1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-8(2)9-3-4-10(11(9)14)13-6-5-12-7-13;1-10(2)5-4-6-11-7-8-12(3)9-11;2*1-9(2)5-4-6-11-7-8-12-10(11)3;1-10(2)6-5-8-11-7-3-4-9-12-11;1-7(2)3-8-4-10(8)9-5-11-12-6-9;1-8(2)5-6-12-10(4)7-9(3)11-12;1-9(2)5-3-7-11-8-4-6-10(11)12;1-9(2)6-7-10-5-3-4-8-11-10;1-8(2)5-7-11-9(3)4-6-10-11;1-8(2)7-9(3)11-6-4-5-10-11;2*1-8(2)4-3-5-9-6-7-10-11-9;1-8(2)5-7-10-6-3-4-9(10)11;1-7(2)4-5-12-8-9-6-10-11(8)3;1-6(2)3-4-9-7(10)5-12-8(9)11;1-7(2)6-8-4-3-5-9-8;1-4-6-8-9-7(10-6)5(2)3;1-6(2)7(3,4)5/h3-8,10-11H,9H2,1-2H3;5-11,14H,3-4H2,1-2H3;7-10H,4-6H2,1-3H3;7-9,12H,4-6H2,1-3H3;4,6-9,12H,5H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;5-8,10H,3-4H2,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3;9H,3-8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;4,6,8H,5,7H2,1-3H3;4-6,8-9H,7H2,1-3H3;6-8H,3-5H2,1-2H3,(H,10,11);3,5-8H,4H2,1-2H3,(H,10,11);8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;6H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3;5H,4H2,1-3H3;6H,1-5H3/b;;;;6-4+;;;;;;;;;5-3+;;;;;;/t;9?,10-,11-;;;;;8-,10-;;;;;;;;;;;;;/m.1....0............./s1.
What are the key properties of 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane?
3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane has a molecular weight of 3216.07 g/mol, XLogP of 49.79, 60 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(3-methylbutyl)pyrazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;3-(3-methylbutyl)-1,3-thiazolidine-2,4-dione;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)pyrazole;5-[(E)-4-methylpent-1-enyl]-1H-pyrazole;5-(4-methylpentyl)-1H-pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol;2,2,3-trimethylbutane is sourced from PubChem (CID 158974509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).