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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine

C175H284FN15O6S4 — CID 157315601

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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine

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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine (PubChem CID 157315601) has the molecular formula C175H284FN15O6S4 and a molecular weight of 2841.56 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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine.

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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine
• PubChem CID: 157315601
• Molecular Formula: C175H284FN15O6S4
• Molecular Weight: 2841.56 g/mol
• Exact Mass: 2839.12
• 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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine
• SMILES: C=S(C)(=O)N(C)c1cc(C(C)C)ccn1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)c(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(N(C)C)c1.CC(C)c1cnc(C(C)(C)C)o1.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)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.2C12H19N.C11H18N2OS.2C11H18N2.2C11H18O.2C11H18S.C10H16N2.3C10H17NO.C10H17NS.C9H11F/c1-11(2)12-8-9-14(16(6)7)13(10-12)15(3,4)5;2*1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)10-6-7-12-11(8-10)13(3)15(4,5)14;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)9-6-10(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)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)8-3-5-9(10)6-4-8/h8-11H,1-7H3;2*6-9H,1-5H3;6-9H,4H2,1-3,5H3;2*6-8H,1-5H3;4*6-8H,1-5H3;5-8H,1-4H3;4*6-7H,1-5H3;3-7H,1-2H3
• InChIKey: BDOAOGDKISXXIZ-UHFFFAOYSA-N
• XLogP: 52.69
• TPSA: 247.17 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2841.56
LogP ≤ 5	52.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', '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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine?

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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine (CID 157315601) 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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine.

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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine?

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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine is C=S(C)(=O)N(C)c1cc(C(C)C)ccn1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)c(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(N(C)C)c1.CC(C)c1cnc(C(C)(C)C)o1.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)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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine?

The InChIKey is BDOAOGDKISXXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.2C12H19N.C11H18N2OS.2C11H18N2.2C11H18O.2C11H18S.C10H16N2.3C10H17NO.C10H17NS.C9H11F/c1-11(2)12-8-9-14(16(6)7)13(10-12)15(3,4)5;2*1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)10-6-7-12-11(8-10)13(3)15(4,5)14;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)9-6-10(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)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)8-3-5-9(10)6-4-8/h8-11H,1-7H3;2*6-9H,1-5H3;6-9H,4H2,1-3,5H3;2*6-8H,1-5H3;4*6-8H,1-5H3;5-8H,1-4H3;4*6-7H,1-5H3;3-7H,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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine?

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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine has a molecular weight of 2841.56 g/mol, XLogP of 52.69, 20 rotatable bonds, 0 hydrogen bond donors, and 23 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;bis(2-tert-butyl-4-propan-2-ylpyridine);4-tert-butyl-2-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2-tert-butyl-4-propan-2-ylthiophene;2-tert-butyl-5-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylpyridin-2-amine;1-fluoro-4-propan-2-ylbenzene;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 157315601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).