amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium

C14H20N6O+2 — CID 136795343

About amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium

amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium (PubChem CID 136795343) has the molecular formula C14H20N6O+2 and a molecular weight of 288.36 g/mol. Its IUPAC name is amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium.

Molecular Properties

• Compound Name: amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
• PubChem CID: 136795343
• Molecular Formula: C14H20N6O+2
• Molecular Weight: 288.36 g/mol
• Exact Mass: 288.17
• IUPAC Name: amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
• SMILES: Cn1cc[n+](C)c1COc1ccc(/C=N\NC=[NH+]N)cc1
• InChI: InChI=1S/C14H19N6O/c1-19-7-8-20(2)14(19)10-21-13-5-3-12(4-6-13)9-17-18-11-16-15/h3-9,11H,10,15H2,1-2H3,(H,16,18)/q+1/p+1/b17-9-
• InChIKey: SHDFDWSFAWQLCB-MFOYZWKCSA-O
• XLogP: -1.67
• TPSA: 82.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.36
LogP ≤ 5	-1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium?

The IUPAC name of amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium (CID 136795343) is amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium.

What is the SMILES notation for amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium?

The canonical SMILES for amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium is Cn1cc[n+](C)c1COc1ccc(/C=N\NC=[NH+]N)cc1.

What is the InChIKey of amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium?

The InChIKey is SHDFDWSFAWQLCB-MFOYZWKCSA-O. The full InChI is InChI=1S/C14H19N6O/c1-19-7-8-20(2)14(19)10-21-13-5-3-12(4-6-13)9-17-18-11-16-15/h3-9,11H,10,15H2,1-2H3,(H,16,18)/q+1/p+1/b17-9-.

What are the key properties of amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium?

amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium has a molecular weight of 288.36 g/mol, XLogP of -1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium is sourced from PubChem (CID 136795343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).