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

C14H20N6O+2 — CID 136795343

IUPACamino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
SMILESCn1cc[n+](C)c1COc1ccc(/C=N\NC=[NH+]N)cc1
InChIInChI=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-
InChIKeySHDFDWSFAWQLCB-MFOYZWKCSA-O
MW288.36 g/mol
LogP-1.67
Rot. Bonds6

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 Nameamino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
PubChem CID136795343
Molecular FormulaC14H20N6O+2
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Nameamino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
SMILESCn1cc[n+](C)c1COc1ccc(/C=N\NC=[NH+]N)cc1
InChIInChI=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-
InChIKeySHDFDWSFAWQLCB-MFOYZWKCSA-O
XLogP-1.67
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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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).