1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole

C132H253F2N23O16 — CID 160672945

About 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole

1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole (PubChem CID 160672945) has the molecular formula C132H253F2N23O16 and a molecular weight of 2456.62 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole.

Molecular Properties

• Compound Name: 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole
• PubChem CID: 160672945
• Molecular Formula: C132H253F2N23O16
• Molecular Weight: 2456.62 g/mol
• Exact Mass: 2454.97
• IUPAC Name: 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole
• SMILES: CC(C)C(=O)C1CC(N)C1.CC(C)C(=O)C1CCC(F)(F)CC1.CC(C)C(=O)C1CCN(C)CC1.CC(C)C(=O)C1CN(C)C1.CC(C)C(=O)c1cc2n(n1)CCC2.CC(C)C(=O)c1ccc(N2CCC2)nc1.CC(C)C(=O)c1cnn(C)c1.CC(C)N.CC(C)N.CC(C)N.CC(C)NC(=O)[C@@H](O)C(C)C.CC(C)NC(=O)[C@@H](O)C(C)C.CC(C)c1ccon1.CC(C)c1cnn(C)c1.CC(C)c1ncco1.COCCNC(C)C.COCCNC(C)C.COCCNC(C)C.[H]/N=C(\N)C(C)C
• InChI: InChI=1S/C12H16N2O.C10H16F2O.C10H14N2O.C10H19NO.C8H12N2O.2C8H17NO2.2C8H15NO.C7H12N2.2C6H9NO.3C6H15NO.C4H10N2.3C3H9N/c1-9(2)12(15)10-4-5-11(13-8-10)14-6-3-7-14;1-7(2)9(13)8-3-5-10(11,12)6-4-8;1-7(2)10(13)9-6-8-4-3-5-12(8)11-9;1-8(2)10(12)9-4-6-11(3)7-5-9;1-6(2)8(11)7-4-9-10(3)5-7;2*1-5(2)7(10)8(11)9-6(3)4;1-6(2)8(10)7-4-9(3)5-7;1-5(2)8(10)6-3-7(9)4-6;1-6(2)7-4-8-9(3)5-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;3*1-6(2)7-4-5-8-3;1-3(2)4(5)6;3*1-3(2)4/h4-5,8-9H,3,6-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;8-9H,4-7H2,1-3H3;4-6H,1-3H3;2*5-7,10H,1-4H3,(H,9,11);6-7H,4-5H2,1-3H3;5-7H,3-4,9H2,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3*6-7H,4-5H2,1-3H3;3H,1-2H3,(H3,5,6);3*3H,4H2,1-2H3/t;;;;;2*7-;;;;;;;;;;;;/m.....00............/s1
• InChIKey: RNDXNYRJYICJEA-FPITVQRNSA-N
• XLogP: 21.10
• TPSA: 564.01 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2456.62
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole?

The IUPAC name of 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole (CID 160672945) is 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole.

What is the SMILES notation for 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole?

The canonical SMILES for 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole is CC(C)C(=O)C1CC(N)C1.CC(C)C(=O)C1CCC(F)(F)CC1.CC(C)C(=O)C1CCN(C)CC1.CC(C)C(=O)C1CN(C)C1.CC(C)C(=O)c1cc2n(n1)CCC2.CC(C)C(=O)c1ccc(N2CCC2)nc1.CC(C)C(=O)c1cnn(C)c1.CC(C)N.CC(C)N.CC(C)N.CC(C)NC(=O)[C@@H](O)C(C)C.CC(C)NC(=O)[C@@H](O)C(C)C.CC(C)c1ccon1.CC(C)c1cnn(C)c1.CC(C)c1ncco1.COCCNC(C)C.COCCNC(C)C.COCCNC(C)C.[H]/N=C(\N)C(C)C.

What is the InChIKey of 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole?

The InChIKey is RNDXNYRJYICJEA-FPITVQRNSA-N. The full InChI is InChI=1S/C12H16N2O.C10H16F2O.C10H14N2O.C10H19NO.C8H12N2O.2C8H17NO2.2C8H15NO.C7H12N2.2C6H9NO.3C6H15NO.C4H10N2.3C3H9N/c1-9(2)12(15)10-4-5-11(13-8-10)14-6-3-7-14;1-7(2)9(13)8-3-5-10(11,12)6-4-8;1-7(2)10(13)9-6-8-4-3-5-12(8)11-9;1-8(2)10(12)9-4-6-11(3)7-5-9;1-6(2)8(11)7-4-9-10(3)5-7;2*1-5(2)7(10)8(11)9-6(3)4;1-6(2)8(10)7-4-9(3)5-7;1-5(2)8(10)6-3-7(9)4-6;1-6(2)7-4-8-9(3)5-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;3*1-6(2)7-4-5-8-3;1-3(2)4(5)6;3*1-3(2)4/h4-5,8-9H,3,6-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;8-9H,4-7H2,1-3H3;4-6H,1-3H3;2*5-7,10H,1-4H3,(H,9,11);6-7H,4-5H2,1-3H3;5-7H,3-4,9H2,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3*6-7H,4-5H2,1-3H3;3H,1-2H3,(H3,5,6);3*3H,4H2,1-2H3/t;;;;;2*7-;;;;;;;;;;;;/m.....00............/s1.

What are the key properties of 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole?

1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole has a molecular weight of 2456.62 g/mol, XLogP of 21.10, 37 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-aminocyclobutyl)-2-methylpropan-1-one;1-[6-(azetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-one;1-(4,4-difluorocyclohexyl)-2-methylpropan-1-one;1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-methylpropan-1-one;bis((2S)-2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(N-(2-methoxyethyl)propan-2-amine);2-methyl-1-(1-methylazetidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methylpropanimidamide;1-methyl-4-propan-2-ylpyrazole;tris(propan-2-amine);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 160672945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).