2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C218H489N19O3S4 — CID 161293480

About 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene

2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 161293480) has the molecular formula C218H489N19O3S4 and a molecular weight of 3553.71 g/mol. Its IUPAC name is 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• PubChem CID: 161293480
• Molecular Formula: C218H489N19O3S4
• Molecular Weight: 3553.71 g/mol
• Exact Mass: 3550.76
• IUPAC Name: 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)/C(=C/N)CN.CC(C)C(C=O)=CN.CC(C)C1=CCCCC1.CC(C)C1C=NC(=O)S1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccsc1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)n1ccnc1.[H]/N=C/C(=C\N)C(C)C
• InChI: InChI=1S/C9H16.C9H12.C8H11N.C8H17N.C8H16.C7H16N2.C7H15NO.C7H15N.2C7H10S.C7H14.3C6H10N2.C6H14N2.C6H12N2.C6H9NOS.C6H11NO.C6H9NS.C6H12.40C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6;2*1-5(2)6(3-7)4-8;1-4(2)5-3-7-6(8)9-5;1-5(2)6(3-7)4-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;40*1-2/h6,8H,3-5,7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3,5H,4,7-8H2,1-2H3;3-5,7H,8H2,1-2H3;3-5H,1-2H3;3-5H,7H2,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;40*1-2H3/b;;;;;;;;;;;;;;6-3+;6-4+,7-3+
• InChIKey: NNNWUAFIMYXKLL-YTRZVATRSA-N
• XLogP: 77.68
• TPSA: 309.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3553.71
LogP ≤ 5	77.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The IUPAC name of 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 161293480) is 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

What is the SMILES notation for 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The canonical SMILES for 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)/C(=C/N)CN.CC(C)C(C=O)=CN.CC(C)C1=CCCCC1.CC(C)C1C=NC(=O)S1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccsc1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)n1ccnc1.[H]/N=C/C(=C\N)C(C)C.

What is the InChIKey of 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The InChIKey is NNNWUAFIMYXKLL-YTRZVATRSA-N. The full InChI is InChI=1S/C9H16.C9H12.C8H11N.C8H17N.C8H16.C7H16N2.C7H15NO.C7H15N.2C7H10S.C7H14.3C6H10N2.C6H14N2.C6H12N2.C6H9NOS.C6H11NO.C6H9NS.C6H12.40C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;1-6(2)8-4-3-7-5-8;1-5(2)6-3-4-7-8-6;2*1-5(2)6(3-7)4-8;1-4(2)5-3-7-6(8)9-5;1-5(2)6(3-7)4-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;40*1-2/h6,8H,3-5,7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3,5H,4,7-8H2,1-2H3;3-5,7H,8H2,1-2H3;3-5H,1-2H3;3-5H,7H2,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;40*1-2H3/b;;;;;;;;;;;;;;6-3+;6-4+,7-3+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3553.71 g/mol, XLogP of 77.68, 23 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 161293480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).