N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

C172H272FN25OS4 — CID 167691510

About N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 167691510) has the molecular formula C172H272FN25OS4 and a molecular weight of 2853.51 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
• PubChem CID: 167691510
• Molecular Formula: C172H272FN25OS4
• Molecular Weight: 2853.51 g/mol
• Exact Mass: 2851.09
• IUPAC Name: N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
• SMILES: CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(CN(C)C)cc1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(CN(C)C)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1N1CCC(N2CCN(C)CC2)CC1.CC(C)c1cccnc1N1CCC(N2CCOCC2)CC1.CC(C)c1ccncc1.CC(C)c1ccns1.CC(C)c1cncc(CN(C)C)c1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1
• InChI: InChI=1S/C18H30N4.C17H27N3O.C12H19N.2C11H18N2.C11H17N.C9H19N.2C9H13N.C9H19N.C8H10FN.3C8H11N.4C6H9NS/c1-15(2)17-5-4-8-19-18(17)22-9-6-16(7-10-22)21-13-11-20(3)12-14-21;1-14(2)16-4-3-7-18-17(16)20-8-5-15(6-9-20)19-10-12-21-13-11-19;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-9(2)11-5-10(6-12-7-11)8-13(3)4;1-9(2)11-7-5-6-10(12-11)8-13(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)9-4-6-10(3)7-5-9;2*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-5-4-6-10(3)7-9;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h4-5,8,15-16H,6-7,9-14H2,1-3H3;3-4,7,14-15H,5-6,8-13H2,1-2H3;5-8,10H,9H2,1-4H3;2*5-7,9H,8H2,1-4H3;5-9H,1-4H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;8-9H,4-7H2,1-3H3;3-6H,1-2H3;3*3-7H,1-2H3;4*3-5H,1-2H3
• InChIKey: XADKECXZLGFENH-UHFFFAOYSA-N
• XLogP: 42.68
• TPSA: 234.98 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2853.51
LogP ≤ 5	42.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?

The IUPAC name of N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (CID 167691510) is N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.

What is the SMILES notation for N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?

The canonical SMILES for N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(CN(C)C)cc1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(CN(C)C)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1N1CCC(N2CCN(C)CC2)CC1.CC(C)c1cccnc1N1CCC(N2CCOCC2)CC1.CC(C)c1ccncc1.CC(C)c1ccns1.CC(C)c1cncc(CN(C)C)c1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.

What is the InChIKey of N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?

The InChIKey is XADKECXZLGFENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4.C17H27N3O.C12H19N.2C11H18N2.C11H17N.C9H19N.2C9H13N.C9H19N.C8H10FN.3C8H11N.4C6H9NS/c1-15(2)17-5-4-8-19-18(17)22-9-6-16(7-10-22)21-13-11-20(3)12-14-21;1-14(2)16-4-3-7-18-17(16)20-8-5-15(6-9-20)19-10-12-21-13-11-19;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-9(2)11-5-10(6-12-7-11)8-13(3)4;1-9(2)11-7-5-6-10(12-11)8-13(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)9-4-6-10(3)7-5-9;2*1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-5-4-6-10(3)7-9;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h4-5,8,15-16H,6-7,9-14H2,1-3H3;3-4,7,14-15H,5-6,8-13H2,1-2H3;5-8,10H,9H2,1-4H3;2*5-7,9H,8H2,1-4H3;5-9H,1-4H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;8-9H,4-7H2,1-3H3;3-6H,1-2H3;3*3-7H,1-2H3;4*3-5H,1-2H3.

What are the key properties of N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?

N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 2853.51 g/mol, XLogP of 42.68, 29 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 167691510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).