methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

C165H277N25O4 — CID 159804091

IUPACmethane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESC.C.C.C.C.C.C.C.C.C.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)c1ccccn1.CC(C)c1cccn1C.CC(C)c1ccnn1C.CC(C)c1cncc(N2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CCC(O)COc1cccc(C(C)C)n1.Cc1ccoc1C(C)C
InChIInChI=1S/C14H22N2.C13H20N2.C13H19N.C12H19N3.C12H18N2O.C12H18N2.C12H19NO2.C8H13N.2C8H11N.C8H12O.2C7H12N2.2C7H10N2.C7H11N.10CH4/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)11-8-13-9-12(14-11)15-6-4-3-5-7-15;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;1-7(2)8-5-4-6-9(8)3;2*1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;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)7-8-4-3-5-9-7;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;8-10H,3-7H2,1-2H3;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;4-7H,1-3H3;2*3-7H,1-2H3;3*4-6H,1-3H3;2*3-6H,1-2H3;4-6H,3H2,1-2H3;10*1H4
InChIKeyNKDZPPXJANLCRF-UHFFFAOYSA-N
MW2675.20 g/mol
LogP43.11
Rot. Bonds28

About methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;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 159804091) has the molecular formula C165H277N25O4 and a molecular weight of 2675.20 g/mol. Its IUPAC name is methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;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 Namemethane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
PubChem CID159804091
Molecular FormulaC165H277N25O4
Molecular Weight2675.20 g/mol
Exact Mass2673.22
IUPAC Namemethane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESC.C.C.C.C.C.C.C.C.C.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)c1ccccn1.CC(C)c1cccn1C.CC(C)c1ccnn1C.CC(C)c1cncc(N2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CCC(O)COc1cccc(C(C)C)n1.Cc1ccoc1C(C)C
InChIInChI=1S/C14H22N2.C13H20N2.C13H19N.C12H19N3.C12H18N2O.C12H18N2.C12H19NO2.C8H13N.2C8H11N.C8H12O.2C7H12N2.2C7H10N2.C7H11N.10CH4/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)11-8-13-9-12(14-11)15-6-4-3-5-7-15;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;1-7(2)8-5-4-6-9(8)3;2*1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;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)7-8-4-3-5-9-7;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;8-10H,3-7H2,1-2H3;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;4-7H,1-3H3;2*3-7H,1-2H3;3*4-6H,1-3H3;2*3-6H,1-2H3;4-6H,3H2,1-2H3;10*1H4
InChIKeyNKDZPPXJANLCRF-UHFFFAOYSA-N
XLogP43.11
TPSA291.77 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002675.20
LogP ≤ 543.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;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 methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;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 methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (CID 159804091) is methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;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 methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;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 methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine is C.C.C.C.C.C.C.C.C.C.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)c1ccccn1.CC(C)c1cccn1C.CC(C)c1ccnn1C.CC(C)c1cncc(N2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CCC(O)COc1cccc(C(C)C)n1.Cc1ccoc1C(C)C.
What is the InChIKey of methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;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 NKDZPPXJANLCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C13H20N2.C13H19N.C12H19N3.C12H18N2O.C12H18N2.C12H19NO2.C8H13N.2C8H11N.C8H12O.2C7H12N2.2C7H10N2.C7H11N.10CH4/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)11-8-13-9-12(14-11)15-6-4-3-5-7-15;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;1-7(2)8-5-4-6-9(8)3;2*1-7(2)8-5-3-4-6-9-8;1-6(2)8-7(3)4-5-9-8;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)7-8-4-3-5-9-7;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;8-10H,3-7H2,1-2H3;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;4-7H,1-3H3;2*3-7H,1-2H3;3*4-6H,1-3H3;2*3-6H,1-2H3;4-6H,3H2,1-2H3;10*1H4.
What are the key properties of methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;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 2675.20 g/mol, XLogP of 43.11, 28 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyrazine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;bis(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;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 159804091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).