cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene

C236H334F3N25O11 — CID 160602104

IUPACcumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(=O)Nc1ccc(C(C)C)cn1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ncccn1.CCCc1ccc(C(C)C)cn1.CCOC(=O)c1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H16.C11H18N2.C11H15NO2.2C11H17N.C10H11F3.C10H14N2O.C10H16N2.C10H13NO2.C10H15NO.C10H15N.C10H14O.2C10H14.C9H14N2.C9H11NO2.C9H13NO.C9H12.C8H11NO.4C8H11N.2C7H10N2/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-14-11(13)10-6-5-9(7-12-10)8(2)3;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-4-12-10-6-5-9(7-11-10)8(2)3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-5-9(10-3)11-6-8;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-9(6-11)10-5-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h3-6,9,12H,7-8H2,1-2H3;5-9H,1-4H3,(H,12,13);5-8H,4H2,1-3H3;5-9H,1-4H3;6-9H,4-5H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3,(H,11,12,13);5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyREKIQSQQZDFWOM-UHFFFAOYSA-N
MW3754.43 g/mol
LogP62.38
Rot. Bonds43

About cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene

cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 160602104) has the molecular formula C236H334F3N25O11 and a molecular weight of 3754.43 g/mol. Its IUPAC name is cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Namecumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID160602104
Molecular FormulaC236H334F3N25O11
Molecular Weight3754.43 g/mol
Exact Mass3751.63
IUPAC Namecumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(=O)Nc1ccc(C(C)C)cn1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ncccn1.CCCc1ccc(C(C)C)cn1.CCOC(=O)c1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H16.C11H18N2.C11H15NO2.2C11H17N.C10H11F3.C10H14N2O.C10H16N2.C10H13NO2.C10H15NO.C10H15N.C10H14O.2C10H14.C9H14N2.C9H11NO2.C9H13NO.C9H12.C8H11NO.4C8H11N.2C7H10N2/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-14-11(13)10-6-5-9(7-12-10)8(2)3;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-4-12-10-6-5-9(7-11-10)8(2)3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-5-9(10-3)11-6-8;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-9(6-11)10-5-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h3-6,9,12H,7-8H2,1-2H3;5-9H,1-4H3,(H,12,13);5-8H,4H2,1-3H3;5-9H,1-4H3;6-9H,4-5H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3,(H,11,12,13);5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyREKIQSQQZDFWOM-UHFFFAOYSA-N
XLogP62.38
TPSA469.73 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds43
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003754.43
LogP ≤ 562.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 160602104) is cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(=O)Nc1ccc(C(C)C)cn1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ncccn1.CCCc1ccc(C(C)C)cn1.CCOC(=O)c1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccccc1C(C)C.
What is the InChIKey of cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is REKIQSQQZDFWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C11H18N2.C11H15NO2.2C11H17N.C10H11F3.C10H14N2O.C10H16N2.C10H13NO2.C10H15NO.C10H15N.C10H14O.2C10H14.C9H14N2.C9H11NO2.C9H13NO.C9H12.C8H11NO.4C8H11N.2C7H10N2/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-14-11(13)10-6-5-9(7-12-10)8(2)3;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-4-12-10-6-5-9(7-11-10)8(2)3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-5-9(10-3)11-6-8;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-9(6-11)10-5-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h3-6,9,12H,7-8H2,1-2H3;5-9H,1-4H3,(H,12,13);5-8H,4H2,1-3H3;5-9H,1-4H3;6-9H,4-5H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3,(H,11,12,13);5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;5-8H,4H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3754.43 g/mol, XLogP of 62.38, 43 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;1-oxido-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 160602104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).