2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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

C82H144F3N15O3 — CID 159274569

IUPAC2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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
SMILESCC(C)(C)N1CCC(Cc2ccccn2)C1.CC(C)C.CC(C)N1CCC(Cc2cc(N(C)C)ncn2)C1.CC(C)N1CCC(Cc2cccnc2)C1.CC(C)N1CCC(N2CCOCC2)C1.CCC(=O)C1CCN(C(C)(C)C)C1.Cc1noc(C2CCN(C(C)C)C2)n1.FC(F)(F)C1CCNC1
InChIInChI=1S/C14H24N4.C14H22N2.C13H20N2.C11H22N2O.C11H21NO.C10H17N3O.C5H8F3N.C4H10/c1-11(2)18-6-5-12(9-18)7-13-8-14(17(3)4)16-10-15-13;1-14(2,3)16-9-7-12(11-16)10-13-6-4-5-8-15-13;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/h8,10-12H,5-7,9H2,1-4H3;4-6,8,12H,7,9-11H2,1-3H3;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
InChIKeyKYDFASCOXWIQDP-UHFFFAOYSA-N
MW1445.15 g/mol
LogP14.20
Rot. Bonds15

About 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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 159274569) has the molecular formula C82H144F3N15O3 and a molecular weight of 1445.15 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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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 Name2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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 CID159274569
Molecular FormulaC82H144F3N15O3
Molecular Weight1445.15 g/mol
Exact Mass1444.15
IUPAC Name2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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
SMILESCC(C)(C)N1CCC(Cc2ccccn2)C1.CC(C)C.CC(C)N1CCC(Cc2cc(N(C)C)ncn2)C1.CC(C)N1CCC(Cc2cccnc2)C1.CC(C)N1CCC(N2CCOCC2)C1.CCC(=O)C1CCN(C(C)(C)C)C1.Cc1noc(C2CCN(C(C)C)C2)n1.FC(F)(F)C1CCNC1
InChIInChI=1S/C14H24N4.C14H22N2.C13H20N2.C11H22N2O.C11H21NO.C10H17N3O.C5H8F3N.C4H10/c1-11(2)18-6-5-12(9-18)7-13-8-14(17(3)4)16-10-15-13;1-14(2,3)16-9-7-12(11-16)10-13-6-4-5-8-15-13;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/h8,10-12H,5-7,9H2,1-4H3;4-6,8,12H,7,9-11H2,1-3H3;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
InChIKeyKYDFASCOXWIQDP-UHFFFAOYSA-N
XLogP14.20
TPSA154.73 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001445.15
LogP ≤ 514.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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 with MolForge

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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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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 159274569) is 2-[(1-tert-butylpyrrolidin-3-yl)methyl]pyridine;1-(1-tert-butylpyrrolidin-3-yl)propan-1-one;N,N-dimethyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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(Cc2cc(N(C)C)ncn2)C1.CC(C)N1CCC(Cc2cccnc2)C1.CC(C)N1CCC(N2CCOCC2)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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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 KYDFASCOXWIQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4.C14H22N2.C13H20N2.C11H22N2O.C11H21NO.C10H17N3O.C5H8F3N.C4H10/c1-11(2)18-6-5-12(9-18)7-13-8-14(17(3)4)16-10-15-13;1-14(2,3)16-9-7-12(11-16)10-13-6-4-5-8-15-13;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/h8,10-12H,5-7,9H2,1-4H3;4-6,8,12H,7,9-11H2,1-3H3;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.
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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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 1445.15 g/mol, XLogP of 14.20, 15 rotatable bonds, 1 hydrogen bond donors, and 18 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-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-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 159274569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).