1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine

C98H151N21O3 — CID 161214577

IUPAC1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
SMILESCC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1ncccn1.CC(C)c1nccn1C.Cc1ncoc1C(C)C
InChIInChI=1S/C13H20N2.C13H19N.C12H18N2O.C11H17N3O.3C7H12N2.3C7H10N2.C7H11NO/c1-11(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;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;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;1-5(2)7-6(3)8-4-9-7/h5-7,11H,3-4,8-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-5,10H,6-9H2,1-2H3;7-9H,3-6H2,1-2H3;3*4-6H,1-3H3;3*3-6H,1-2H3;4-5H,1-3H3
InChIKeyUWRLFJHVQRZDLG-UHFFFAOYSA-N
MW1671.43 g/mol
LogP21.23
Rot. Bonds16

About 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine

1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine (PubChem CID 161214577) has the molecular formula C98H151N21O3 and a molecular weight of 1671.43 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
PubChem CID161214577
Molecular FormulaC98H151N21O3
Molecular Weight1671.43 g/mol
Exact Mass1670.23
IUPAC Name1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
SMILESCC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1ncccn1.CC(C)c1nccn1C.Cc1ncoc1C(C)C
InChIInChI=1S/C13H20N2.C13H19N.C12H18N2O.C11H17N3O.3C7H12N2.3C7H10N2.C7H11NO/c1-11(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;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;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;1-5(2)7-6(3)8-4-9-7/h5-7,11H,3-4,8-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-5,10H,6-9H2,1-2H3;7-9H,3-6H2,1-2H3;3*4-6H,1-3H3;3*3-6H,1-2H3;4-5H,1-3H3
InChIKeyUWRLFJHVQRZDLG-UHFFFAOYSA-N
XLogP21.23
TPSA239.81 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.43
LogP ≤ 521.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine?
The IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine (CID 161214577) is 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine.
What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine?
The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine is CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1ncccn1.CC(C)c1nccn1C.Cc1ncoc1C(C)C.
What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine?
The InChIKey is UWRLFJHVQRZDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C13H19N.C12H18N2O.C11H17N3O.3C7H12N2.3C7H10N2.C7H11NO/c1-11(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;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;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;1-5(2)7-6(3)8-4-9-7/h5-7,11H,3-4,8-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-5,10H,6-9H2,1-2H3;7-9H,3-6H2,1-2H3;3*4-6H,1-3H3;3*3-6H,1-2H3;4-5H,1-3H3.
What are the key properties of 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine?
1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine has a molecular weight of 1671.43 g/mol, XLogP of 21.23, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine is sourced from PubChem (CID 161214577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).