2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine

C81H143F3N15O3+ — CID 161405913

About 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine

2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine (PubChem CID 161405913) has the molecular formula C81H143F3N15O3+ and a molecular weight of 1432.13 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine.

Molecular Properties

• Compound Name: 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine
• PubChem CID: 161405913
• Molecular Formula: C81H143F3N15O3+
• Molecular Weight: 1432.13 g/mol
• Exact Mass: 1431.14
• IUPAC Name: 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine
• SMILES: CC(C)(C)N1CCC(Cc2ccccn2)C1.CC(C)C.CC(C)N1CCC(Cc2cccnc2)C1.CC(C)N1CCC(N2CCOCC2)C1.CC(C)N1CCC([n+]2ccc(N(C)C)nc2)C1.CCC(=O)C1CCN(C(C)(C)C)C1.Cc1noc(C2CCN(C(C)C)C2)n1.FC(F)(F)C1CCNC1
• InChI: InChI=1S/C14H22N2.C13H23N4.C13H20N2.C11H22N2O.C11H21NO.C10H17N3O.C5H8F3N.C4H10/c1-14(2,3)16-9-7-12(11-16)10-13-6-4-5-8-15-13;1-11(2)16-7-5-12(9-16)17-8-6-13(14-10-17)15(3)4;1-11(2)15-7-5-13(10-15)8-12-4-3-6-14-9-12;1-10(2)13-4-3-11(9-13)12-5-7-14-8-6-12;1-5-10(13)9-6-7-12(8-9)11(2,3)4;1-7(2)13-5-4-9(6-13)10-11-8(3)12-14-10;6-5(7,8)4-1-2-9-3-4;1-4(2)3/h4-6,8,12H,7,9-11H2,1-3H3;6,8,10-12H,5,7,9H2,1-4H3;3-4,6,9,11,13H,5,7-8,10H2,1-2H3;10-11H,3-9H2,1-2H3;9H,5-8H2,1-4H3;7,9H,4-6H2,1-3H3;4,9H,1-3H2;4H,1-3H3/q;+1
• InChIKey: QXFNTTUBIZTLSI-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 145.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.13
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine?

The IUPAC name of 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine (CID 161405913) is 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine.

What is the SMILES notation for 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine?

The canonical SMILES for 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine is CC(C)(C)N1CCC(Cc2ccccn2)C1.CC(C)C.CC(C)N1CCC(Cc2cccnc2)C1.CC(C)N1CCC(N2CCOCC2)C1.CC(C)N1CCC([n+]2ccc(N(C)C)nc2)C1.CCC(=O)C1CCN(C(C)(C)C)C1.Cc1noc(C2CCN(C(C)C)C2)n1.FC(F)(F)C1CCNC1.

What is the InChIKey of 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine?

The InChIKey is QXFNTTUBIZTLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C13H23N4.C13H20N2.C11H22N2O.C11H21NO.C10H17N3O.C5H8F3N.C4H10/c1-14(2,3)16-9-7-12(11-16)10-13-6-4-5-8-15-13;1-11(2)16-7-5-12(9-16)17-8-6-13(14-10-17)15(3)4;1-11(2)15-7-5-13(10-15)8-12-4-3-6-14-9-12;1-10(2)13-4-3-11(9-13)12-5-7-14-8-6-12;1-5-10(13)9-6-7-12(8-9)11(2,3)4;1-7(2)13-5-4-9(6-13)10-11-8(3)12-14-10;6-5(7,8)4-1-2-9-3-4;1-4(2)3/h4-6,8,12H,7,9-11H2,1-3H3;6,8,10-12H,5,7,9H2,1-4H3;3-4,6,9,11,13H,5,7-8,10H2,1-2H3;10-11H,3-9H2,1-2H3;9H,5-8H2,1-4H3;7,9H,4-6H2,1-3H3;4,9H,1-3H2;4H,1-3H3/q;+1;;;;;;.

What are the key properties of 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine?

2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine has a molecular weight of 1432.13 g/mol, XLogP of 13.47, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-1-ium-4-amine;2-methylpropane;3-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole;3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine;3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 161405913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).