3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

C152H233N27O5 — CID 161463906

IUPAC3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESCC(C)C1=CCC=N1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccccn1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1ncccn1.CC(C)c1nccn1C.CCC(O)COc1cccc(C(C)C)n1.Cc1ccoc1C(C)C
InChIInChI=1S/C14H22N2.C13H20N2.C13H19N.C12H18N2O.C12H18N2.C12H19NO2.C11H17N3O.C8H11N.C8H12O.3C7H12N2.3C7H10N2.C7H11N/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7/h6-8,12H,3-5,9-11H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-5,10H,6-9H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;4*4-6H,1-3H3;3*3-6H,1-2H3;4-6H,3H2,1-2H3
InChIKeyWCEDBZFPLZPYSY-UHFFFAOYSA-N
MW2518.72 g/mol
LogP34.39
Rot. Bonds28

About 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (PubChem CID 161463906) has the molecular formula C152H233N27O5 and a molecular weight of 2518.72 g/mol. Its IUPAC name is 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
PubChem CID161463906
Molecular FormulaC152H233N27O5
Molecular Weight2518.72 g/mol
Exact Mass2516.88
IUPAC Name3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESCC(C)C1=CCC=N1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccccn1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1ncccn1.CC(C)c1nccn1C.CCC(O)COc1cccc(C(C)C)n1.Cc1ccoc1C(C)C
InChIInChI=1S/C14H22N2.C13H20N2.C13H19N.C12H18N2O.C12H18N2.C12H19NO2.C11H17N3O.C8H11N.C8H12O.3C7H12N2.3C7H10N2.C7H11N/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7/h6-8,12H,3-5,9-11H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-5,10H,6-9H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;4*4-6H,1-3H3;3*3-6H,1-2H3;4-6H,3H2,1-2H3
InChIKeyWCEDBZFPLZPYSY-UHFFFAOYSA-N
XLogP34.39
TPSA326.78 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002518.72
LogP ≤ 534.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (CID 161463906) is 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine is CC(C)C1=CCC=N1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccccn1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1ncccn1.CC(C)c1nccn1C.CCC(O)COc1cccc(C(C)C)n1.Cc1ccoc1C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The InChIKey is WCEDBZFPLZPYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C13H20N2.C13H19N.C12H18N2O.C12H18N2.C12H19NO2.C11H17N3O.C8H11N.C8H12O.3C7H12N2.3C7H10N2.C7H11N/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7/h6-8,12H,3-5,9-11H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-5,10H,6-9H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;4*4-6H,1-3H3;3*3-6H,1-2H3;4-6H,3H2,1-2H3.
What are the key properties of 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine has a molecular weight of 2518.72 g/mol, XLogP of 34.39, 28 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 161463906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).