N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide

C16H16IN3 — CID 45048663

IUPACN'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide
SMILESI.NC(=NN=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N3.HI/c17-16(15-11-5-2-6-12-15)19-18-13-7-10-14-8-3-1-4-9-14;/h1-13H,(H2,17,19);1H
InChIKeyQALMBPQHMMWOTF-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.71
Rot. Bonds4

About N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide

N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide (PubChem CID 45048663) has the molecular formula C16H16IN3 and a molecular weight of 377.23 g/mol. Its IUPAC name is N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide
PubChem CID45048663
Molecular FormulaC16H16IN3
Molecular Weight377.23 g/mol
Exact Mass377.04
IUPAC NameN'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide
SMILESI.NC(=NN=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N3.HI/c17-16(15-11-5-2-6-12-15)19-18-13-7-10-14-8-3-1-4-9-14;/h1-13H,(H2,17,19);1H
InChIKeyQALMBPQHMMWOTF-UHFFFAOYSA-N
XLogP3.71
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide?
The IUPAC name of N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide (CID 45048663) is N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide.
What is the SMILES notation for N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide?
The canonical SMILES for N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide is I.NC(=NN=CC=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide?
The InChIKey is QALMBPQHMMWOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3.HI/c17-16(15-11-5-2-6-12-15)19-18-13-7-10-14-8-3-1-4-9-14;/h1-13H,(H2,17,19);1H.
What are the key properties of N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide?
N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide has a molecular weight of 377.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide is sourced from PubChem (CID 45048663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).