cumene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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

C156H281N21O4S3 — CID 167603465

About cumene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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 167603465) has the molecular formula C156H281N21O4S3 and a molecular weight of 2611.31 g/mol. Its IUPAC name is cumene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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: 167603465
• Molecular Formula: C156H281N21O4S3
• Molecular Weight: 2611.31 g/mol
• Exact Mass: 2609.16
• IUPAC Name: cumene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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.Cc1ccccc1C(C)C
• InChI: InChI=1S/C12H19N.C11H18N2.C10H19N3.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;1-9(2)10-7-11-13(8-10)6-5-12(3)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;7-9H,5-6H2,1-4H3;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: KBCHIXMPJJQARL-UHFFFAOYSA-N
• XLogP: 48.60
• TPSA: 254.50 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2611.31
LogP ≤ 5	48.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of cumene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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 167603465) is cumene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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.Cc1ccccc1C(C)C.

What is the InChIKey of cumene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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 KBCHIXMPJJQARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C11H18N2.C10H19N3.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;1-9(2)10-7-11-13(8-10)6-5-12(3)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;7-9H,5-6H2,1-4H3;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;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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 2611.31 g/mol, XLogP of 48.60, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;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 167603465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).