cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene

C177H312N22O4S3 — CID 167704935

About cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene

cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene (PubChem CID 167704935) has the molecular formula C177H312N22O4S3 and a molecular weight of 2908.79 g/mol. Its IUPAC name is cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
• PubChem CID: 167704935
• Molecular Formula: C177H312N22O4S3
• Molecular Weight: 2908.79 g/mol
• Exact Mass: 2906.40
• IUPAC Name: cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(CN(C)C)cn1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CCN(C)C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccccc1C(C)C
• InChI: InChI=1S/C12H19N.C11H18N2.C11H16.C10H19N3.C10H15N.C10H14.C9H12.C8H13N.2C8H11N.3C7H12N2.C7H10S.4C6H9NO.2C6H9NS.16CH4/c1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-9(2)11-6-5-10(7-12-11)8-13(3)4;1-8(2)11-6-5-9(3)7-10(11)4;1-9(2)10-7-11-13(8-10)6-5-12(3)4;1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;;;;;;;;;;;;;;;;/h5-8,10H,9H2,1-4H3;5-7,9H,8H2,1-4H3;5-8H,1-4H3;7-9H,5-6H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;3*4-6H,1-3H3;3-6H,1-2H3;6*3-5H,1-2H3;16*1H4
• InChIKey: YYPVJBGSGVJDHA-UHFFFAOYSA-N
• XLogP: 54.85
• TPSA: 267.39 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2908.79
LogP ≤ 5	54.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?

The IUPAC name of cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene (CID 167704935) is cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene.

What is the SMILES notation for cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?

The canonical SMILES for cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(CN(C)C)cn1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CCN(C)C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccccc1C(C)C.

What is the InChIKey of cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?

The InChIKey is YYPVJBGSGVJDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C11H18N2.C11H16.C10H19N3.C10H15N.C10H14.C9H12.C8H13N.2C8H11N.3C7H12N2.C7H10S.4C6H9NO.2C6H9NS.16CH4/c1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-9(2)11-6-5-10(7-12-11)8-13(3)4;1-8(2)11-6-5-9(3)7-10(11)4;1-9(2)10-7-11-13(8-10)6-5-12(3)4;1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;;;;;;;;;;;;;;;;/h5-8,10H,9H2,1-4H3;5-7,9H,8H2,1-4H3;5-8H,1-4H3;7-9H,5-6H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;3*4-6H,1-3H3;3-6H,1-2H3;6*3-5H,1-2H3;16*1H4.

What are the key properties of cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?

cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene has a molecular weight of 2908.79 g/mol, XLogP of 54.85, 27 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;2,4-dimethyl-1-propan-2-ylbenzene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,6-dimethyl-3-propan-2-ylpyridine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene is sourced from PubChem (CID 167704935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).