4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine

C217H342N30O11S — CID 159094240

IUPAC4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine
SMILESCC(C)(C)c1cn(CCN2CCCCC2)nn1.CC(C)(C)c1cn(CCN2CCOCC2)cn1.CC(C)(C)c1cnn(CCN2CCCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CNCCO)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CN2CCN(C)CC2)c1.CC(C)c1cccc(CN2CCOCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccn1C.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C15H24N2.2C14H21NO.C14H21N.C13H24N4.2C13H23N3O.C13H21N3.C13H23N3.C12H17NO.C12H19NO.C10H13NO.C10H15N.C10H14O2S.C10H14O.C8H13NO.C8H13N.C8H11N.C7H12N2/c1-13(2)15-6-4-5-14(11-15)12-17-9-7-16(3)8-10-17;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)14-5-3-4-13(10-14)11-15-6-8-16-9-7-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-13(2,3)12-11-17(15-14-12)10-9-16-7-5-4-6-8-16;1-13(2,3)12-10-16(11-14-12)5-4-15-6-8-17-9-7-15;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-13(2,3)12-10-14-16(11-12)9-8-15-6-4-5-7-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-10(2)12-5-3-11(4-6-12)9-13-7-8-14;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7/h4-6,11,13H,7-10,12H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-5,10,12H,6-9,11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;11H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;10-11H,4-9H2,1-3H3;5-9H,1-4H3;3-6,10,13-14H,7-9H2,1-2H3;3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;5H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyKCLMTWGQDKZNQV-UHFFFAOYSA-N
MW3579.39 g/mol
LogP41.98
Rot. Bonds45

About 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine

4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine (PubChem CID 159094240) has the molecular formula C217H342N30O11S and a molecular weight of 3579.39 g/mol. Its IUPAC name is 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine.

Molecular Properties

Compound Name4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine
PubChem CID159094240
Molecular FormulaC217H342N30O11S
Molecular Weight3579.39 g/mol
Exact Mass3576.68
IUPAC Name4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine
SMILESCC(C)(C)c1cn(CCN2CCCCC2)nn1.CC(C)(C)c1cn(CCN2CCOCC2)cn1.CC(C)(C)c1cnn(CCN2CCCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CNCCO)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CN2CCN(C)CC2)c1.CC(C)c1cccc(CN2CCOCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccn1C.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C15H24N2.2C14H21NO.C14H21N.C13H24N4.2C13H23N3O.C13H21N3.C13H23N3.C12H17NO.C12H19NO.C10H13NO.C10H15N.C10H14O2S.C10H14O.C8H13NO.C8H13N.C8H11N.C7H12N2/c1-13(2)15-6-4-5-14(11-15)12-17-9-7-16(3)8-10-17;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)14-5-3-4-13(10-14)11-15-6-8-16-9-7-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-13(2,3)12-11-17(15-14-12)10-9-16-7-5-4-6-8-16;1-13(2,3)12-10-16(11-14-12)5-4-15-6-8-17-9-7-15;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-13(2,3)12-10-14-16(11-12)9-8-15-6-4-5-7-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-10(2)12-5-3-11(4-6-12)9-13-7-8-14;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7/h4-6,11,13H,7-10,12H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-5,10,12H,6-9,11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;11H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;10-11H,4-9H2,1-3H3;5-9H,1-4H3;3-6,10,13-14H,7-9H2,1-2H3;3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;5H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;4-6H,1-3H3
InChIKeyKCLMTWGQDKZNQV-UHFFFAOYSA-N
XLogP41.98
TPSA407.34 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds45
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003579.39
LogP ≤ 541.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine?
The IUPAC name of 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine (CID 159094240) is 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine.
What is the SMILES notation for 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine?
The canonical SMILES for 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine is CC(C)(C)c1cn(CCN2CCCCC2)nn1.CC(C)(C)c1cn(CCN2CCOCC2)cn1.CC(C)(C)c1cnn(CCN2CCCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CNCCO)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CN2CCN(C)CC2)c1.CC(C)c1cccc(CN2CCOCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccn1C.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine?
The InChIKey is KCLMTWGQDKZNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.2C14H21NO.C14H21N.C13H24N4.2C13H23N3O.C13H21N3.C13H23N3.C12H17NO.C12H19NO.C10H13NO.C10H15N.C10H14O2S.C10H14O.C8H13NO.C8H13N.C8H11N.C7H12N2/c1-13(2)15-6-4-5-14(11-15)12-17-9-7-16(3)8-10-17;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)14-5-3-4-13(10-14)11-15-6-8-16-9-7-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-13(2,3)12-11-17(15-14-12)10-9-16-7-5-4-6-8-16;1-13(2,3)12-10-16(11-14-12)5-4-15-6-8-17-9-7-15;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-13(2,3)12-10-14-16(11-12)9-8-15-6-4-5-7-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-10(2)12-5-3-11(4-6-12)9-13-7-8-14;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7/h4-6,11,13H,7-10,12H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-5,10,12H,6-9,11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;11H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;10-11H,4-9H2,1-3H3;5-9H,1-4H3;3-6,10,13-14H,7-9H2,1-2H3;3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;5H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine?
4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine has a molecular weight of 3579.39 g/mol, XLogP of 41.98, 45 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylimidazol-1-yl)ethyl]morpholine;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-tert-butyl-1-(2-pyrrolidin-1-ylethyl)pyrazole;1-[2-(4-tert-butyltriazol-1-yl)ethyl]piperidine;N,N-dimethyl-4-propan-2-ylbenzamide;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-[(3-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-2-propan-2-ylpyrrole;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;(4-propan-2-ylphenyl)methanamine;(4-propan-2-ylphenyl)methanol;2-[(4-propan-2-ylphenyl)methylamino]ethanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-propan-2-ylpyridine is sourced from PubChem (CID 159094240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).