2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol

C188H304Cl2N18O8S6 — CID 159002477

About 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol

2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol (PubChem CID 159002477) has the molecular formula C188H304Cl2N18O8S6 and a molecular weight of 3207.93 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol.

Molecular Properties

• Compound Name: 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol
• PubChem CID: 159002477
• Molecular Formula: C188H304Cl2N18O8S6
• Molecular Weight: 3207.93 g/mol
• Exact Mass: 3204.16
• IUPAC Name: 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol
• SMILES: CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(N(C)C)c(C(C)(C)C)c1.CC(C)c1cccc(Cl)n1.CC(C)c1ccnc(C(C)(C)O)c1.CC(C)c1ccnc(N(C)C)c1.CC(C)c1ccnc(N(C)S(C)(=O)=O)c1.CC(C)c1cnc(C(C)(C)C)o1.CC(C)c1cnc(C(C)(C)C)s1.CC(C)c1cncc(C(C)(C)C)n1.CC(C)c1coc(C(C)(C)C)c1.CC(C)c1coc(C(C)(C)C)n1.CC(C)c1csc(C(C)(C)C)c1.CC(C)c1csc(C(C)(C)C)n1.CC(C)c1ncc(C(C)(C)C)o1.CC(C)c1ncc(C(C)(C)C)s1.CC(C)c1nccc(C(C)(C)C)n1
• InChI: InChI=1S/C15H25N.2C11H18N2.C11H17NO.2C11H18O.2C11H18S.C10H16N2O2S.C10H16N2.3C10H17NO.3C10H17NS.2C8H10ClN/c1-11(2)12-8-9-14(16(6)7)13(10-12)15(3,4)5;1-8(2)9-6-12-7-10(13-9)11(3,4)5;1-8(2)10-12-7-6-9(13-10)11(3,4)5;1-8(2)9-5-6-12-10(7-9)11(3,4)13;1-8(2)9-6-10(12-7-9)11(3,4)5;1-8(2)9-6-7-10(12-9)11(3,4)5;1-8(2)9-6-10(12-7-9)11(3,4)5;1-8(2)9-6-7-10(12-9)11(3,4)5;1-8(2)9-5-6-11-10(7-9)12(3)15(4,13)14;1-8(2)9-5-6-11-10(7-9)12(3)4;1-7(2)9-11-6-8(12-9)10(3,4)5;1-7(2)8-6-12-9(11-8)10(3,4)5;1-7(2)8-6-11-9(12-8)10(3,4)5;1-7(2)9-11-6-8(12-9)10(3,4)5;1-7(2)8-6-12-9(11-8)10(3,4)5;1-7(2)8-6-11-9(12-8)10(3,4)5;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-8(9)10-7/h8-11H,1-7H3;2*6-8H,1-5H3;5-8,13H,1-4H3;4*6-8H,1-5H3;5-8H,1-4H3;5-8H,1-4H3;6*6-7H,1-5H3;2*3-6H,1-2H3
• InChIKey: JRMTWNIPPPVBRE-UHFFFAOYSA-N
• XLogP: 57.71
• TPSA: 323.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3207.93
LogP ≤ 5	57.71
H-Bond Donors ≤ 5	1
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 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol?

The IUPAC name of 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol (CID 159002477) is 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol.

What is the SMILES notation for 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol?

The canonical SMILES for 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol is CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(N(C)C)c(C(C)(C)C)c1.CC(C)c1cccc(Cl)n1.CC(C)c1ccnc(C(C)(C)O)c1.CC(C)c1ccnc(N(C)C)c1.CC(C)c1ccnc(N(C)S(C)(=O)=O)c1.CC(C)c1cnc(C(C)(C)C)o1.CC(C)c1cnc(C(C)(C)C)s1.CC(C)c1cncc(C(C)(C)C)n1.CC(C)c1coc(C(C)(C)C)c1.CC(C)c1coc(C(C)(C)C)n1.CC(C)c1csc(C(C)(C)C)c1.CC(C)c1csc(C(C)(C)C)n1.CC(C)c1ncc(C(C)(C)C)o1.CC(C)c1ncc(C(C)(C)C)s1.CC(C)c1nccc(C(C)(C)C)n1.

What is the InChIKey of 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol?

The InChIKey is JRMTWNIPPPVBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.2C11H18N2.C11H17NO.2C11H18O.2C11H18S.C10H16N2O2S.C10H16N2.3C10H17NO.3C10H17NS.2C8H10ClN/c1-11(2)12-8-9-14(16(6)7)13(10-12)15(3,4)5;1-8(2)9-6-12-7-10(13-9)11(3,4)5;1-8(2)10-12-7-6-9(13-10)11(3,4)5;1-8(2)9-5-6-12-10(7-9)11(3,4)13;1-8(2)9-6-10(12-7-9)11(3,4)5;1-8(2)9-6-7-10(12-9)11(3,4)5;1-8(2)9-6-10(12-7-9)11(3,4)5;1-8(2)9-6-7-10(12-9)11(3,4)5;1-8(2)9-5-6-11-10(7-9)12(3)15(4,13)14;1-8(2)9-5-6-11-10(7-9)12(3)4;1-7(2)9-11-6-8(12-9)10(3,4)5;1-7(2)8-6-12-9(11-8)10(3,4)5;1-7(2)8-6-11-9(12-8)10(3,4)5;1-7(2)9-11-6-8(12-9)10(3,4)5;1-7(2)8-6-12-9(11-8)10(3,4)5;1-7(2)8-6-11-9(12-8)10(3,4)5;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-8(9)10-7/h8-11H,1-7H3;2*6-8H,1-5H3;5-8,13H,1-4H3;4*6-8H,1-5H3;5-8H,1-4H3;5-8H,1-4H3;6*6-7H,1-5H3;2*3-6H,1-2H3.

What are the key properties of 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol?

2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol has a molecular weight of 3207.93 g/mol, XLogP of 57.71, 23 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-N,N-dimethyl-4-propan-2-ylaniline;2-tert-butyl-4-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-4-propan-2-yl-1,3-oxazole;2-tert-butyl-5-propan-2-yl-1,3-oxazole;5-tert-butyl-2-propan-2-yl-1,3-oxazole;2-tert-butyl-6-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;2-chloro-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;N-methyl-N-(4-propan-2-yl-2-pyridinyl)methanesulfonamide;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 159002477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).