aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole

C143H293N32O6+ — CID 163628657

About aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole

aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole (PubChem CID 163628657) has the molecular formula C143H293N32O6+ and a molecular weight of 2557.13 g/mol. Its IUPAC name is aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole.

Molecular Properties

• Compound Name: aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
• PubChem CID: 163628657
• Molecular Formula: C143H293N32O6+
• Molecular Weight: 2557.13 g/mol
• Exact Mass: 2555.36
• IUPAC Name: aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C(C=O)=CN.CC(C)C1=CCC=C1.CC(C)C1=NCC=C1.CC(C)c1ccc[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1nccn1.CC(C)n1ncnn1.[H]/N=C/C(=C\C)C(C)C.[H]/N=C/N(/N=N/[H])C(C)C.[H]/N=C/[N+](=C\N)C(C)C
• InChI: InChI=1S/C8H12.3C7H11N.C7H13N.C6H10N2.5C6H9NO.C6H11NO.3C5H9N3.C5H11N3.C4H8N4.C4H10N4.18C2H6.CH4/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7;1-4-7(5-8)6(2)3;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;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)4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-5(2)8(3-6)4-7;1-4(2)8-6-3-5-7-8;1-4(2)8(3-5)7-6;18*1-2;/h3,5-7H,4H2,1-2H3;3-7H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;4-6,8H,1-3H3;3-6H,1-2H3;5*3-5H,1-2H3;3-5H,7H2,1-2H3;3*3-5H,1-2H3;3-7H,1-2H3;3-4H,1-2H3;3-6H,1-2H3;18*1-2H3;1H4/p+1/b;;;;7-4+,8-5+;;;;;;;;;;;6-3+;;5-3+,7-6+
• InChIKey: UHQVHAWNQVVWMX-FQXSYYIPSA-O
• XLogP: 44.96
• TPSA: 499.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2557.13
LogP ≤ 5	44.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?

The IUPAC name of aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole (CID 163628657) is aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole.

What is the SMILES notation for aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?

The canonical SMILES for aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C(C=O)=CN.CC(C)C1=CCC=C1.CC(C)C1=NCC=C1.CC(C)c1ccc[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1nccn1.CC(C)n1ncnn1.[H]/N=C/C(=C\C)C(C)C.[H]/N=C/N(/N=N/[H])C(C)C.[H]/N=C/[N+](=C\N)C(C)C.

What is the InChIKey of aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?

The InChIKey is UHQVHAWNQVVWMX-FQXSYYIPSA-O. The full InChI is InChI=1S/C8H12.3C7H11N.C7H13N.C6H10N2.5C6H9NO.C6H11NO.3C5H9N3.C5H11N3.C4H8N4.C4H10N4.18C2H6.CH4/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-8-7;1-4-7(5-8)6(2)3;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;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)4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-5(2)8(3-6)4-7;1-4(2)8-6-3-5-7-8;1-4(2)8(3-5)7-6;18*1-2;/h3,5-7H,4H2,1-2H3;3-7H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;4-6,8H,1-3H3;3-6H,1-2H3;5*3-5H,1-2H3;3-5H,7H2,1-2H3;3*3-5H,1-2H3;3-7H,1-2H3;3-4H,1-2H3;3-6H,1-2H3;18*1-2H3;1H4/p+1/b;;;;7-4+,8-5+;;;;;;;;;;;6-3+;;5-3+,7-6+;;;;;;;;;;;;;;;;;;;.

What are the key properties of aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?

aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole has a molecular weight of 2557.13 g/mol, XLogP of 44.96, 23 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole is sourced from PubChem (CID 163628657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).