(3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane

C56H100N8+4 — CID 159526175

About (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane

(3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane (PubChem CID 159526175) has the molecular formula C56H100N8+4 and a molecular weight of 885.47 g/mol. Its IUPAC name is (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane.

Molecular Properties

• Compound Name: (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane
• PubChem CID: 159526175
• Molecular Formula: C56H100N8+4
• Molecular Weight: 885.47 g/mol
• Exact Mass: 884.80
• IUPAC Name: (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane
• SMILES: C.C.C.C.C/[NH+]=C1\C(C)=C(N)C(C)=C(C)C1=C(C)C.C/[NH+]=C1\C=C(N)C=C(C)C1=C(C)C.CNC1=C(C)C(=[N+](C)C)C(C)=C(C)C1=C(C)C.CNC1=C/C(=[NH+]\C)C(C)=C(C)C1=C(C)C
• InChI: InChI=1S/C15H24N2.2C13H20N2.C11H16N2.4CH4/c1-9(2)13-10(3)11(4)15(17(7)8)12(5)14(13)16-6;1-8(2)13-10(4)9(3)11(14-5)7-12(13)15-6;1-7(2)11-8(3)9(4)12(14)10(5)13(11)15-6;1-7(2)11-8(3)5-9(12)6-10(11)13-4;;;;/h1-8H3;7,15H,1-6H3;14H2,1-6H3;5-6H,12H2,1-4H3;4*1H4/p+4/b;14-11+;15-13+;13-10+
• InChIKey: JFYQKCMNALJTNF-QXDPHWKXSA-R
• XLogP: 7.68
• TPSA: 121.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	885.47
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane?

The IUPAC name of (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane (CID 159526175) is (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane.

What is the SMILES notation for (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane?

The canonical SMILES for (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane is C.C.C.C.C/[NH+]=C1\C(C)=C(N)C(C)=C(C)C1=C(C)C.C/[NH+]=C1\C=C(N)C=C(C)C1=C(C)C.CNC1=C(C)C(=[N+](C)C)C(C)=C(C)C1=C(C)C.CNC1=C/C(=[NH+]\C)C(C)=C(C)C1=C(C)C.

What is the InChIKey of (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane?

The InChIKey is JFYQKCMNALJTNF-QXDPHWKXSA-R. The full InChI is InChI=1S/C15H24N2.2C13H20N2.C11H16N2.4CH4/c1-9(2)13-10(3)11(4)15(17(7)8)12(5)14(13)16-6;1-8(2)13-10(4)9(3)11(14-5)7-12(13)15-6;1-7(2)11-8(3)9(4)12(14)10(5)13(11)15-6;1-7(2)11-8(3)5-9(12)6-10(11)13-4;;;;/h1-8H3;7,15H,1-6H3;14H2,1-6H3;5-6H,12H2,1-4H3;4*1H4/p+4/b;14-11+;15-13+;13-10+;;;;.

What are the key properties of (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane?

(3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane has a molecular weight of 885.47 g/mol, XLogP of 7.68, 2 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-5-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;(3-amino-2,4,5-trimethyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)-methylazanium;[2,3-dimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]-methylazanium;dimethyl-[2,3,6-trimethyl-5-(methylamino)-4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene]azanium;methane is sourced from PubChem (CID 159526175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).