(cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide

C11H15IN4 — CID 73188873

IUPAC(cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide
SMILESC[N+](N=CC=Cc1ccccc1)=C(N)N.[I-]
InChIInChI=1S/C11H14N4.HI/c1-15(11(12)13)14-9-5-8-10-6-3-2-4-7-10;/h2-9H,1H3,(H3,12,13);1H
InChIKeyFLGFTQCVEKPFGB-UHFFFAOYSA-N
MW330.17 g/mol
LogP-2.39
Rot. Bonds3

About (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide

(cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide (PubChem CID 73188873) has the molecular formula C11H15IN4 and a molecular weight of 330.17 g/mol. Its IUPAC name is (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide.

Molecular Properties

Compound Name(cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide
PubChem CID73188873
Molecular FormulaC11H15IN4
Molecular Weight330.17 g/mol
Exact Mass330.03
IUPAC Name(cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide
SMILESC[N+](N=CC=Cc1ccccc1)=C(N)N.[I-]
InChIInChI=1S/C11H14N4.HI/c1-15(11(12)13)14-9-5-8-10-6-3-2-4-7-10;/h2-9H,1H3,(H3,12,13);1H
InChIKeyFLGFTQCVEKPFGB-UHFFFAOYSA-N
XLogP-2.39
TPSA67.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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Related Compounds

N-[(phenylmethylidene)amino]guanidine
CID 9568045
Benzylideneaminoguanidine
CID 100449
2-[3-Chloro-3-phenylprop-2-enylidene]hydrazinecarboximidamide
CID 25147764
2-(3-Phenyl-2-propenylidene)hydrazinecarboximidamide
CID 9560228
2-[(E)-benzylideneamino]guanidine;hydrochloride
CID 49796212
2-[(E)-(4-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 49796489
(2E)-1,1-Dimethyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazine
CID 9614267
Benzaldehyde N,N-dimethylhydrazone
CID 9569654
2-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]guanidine
CID 40586320
2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride
CID 71717118
2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 9561630
2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
CID 5357514

Frequently Asked Questions

What is the IUPAC name of (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide?
The IUPAC name of (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide (CID 73188873) is (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide.
What is the SMILES notation for (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide?
The canonical SMILES for (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide is C[N+](N=CC=Cc1ccccc1)=C(N)N.[I-].
What is the InChIKey of (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide?
The InChIKey is FLGFTQCVEKPFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.HI/c1-15(11(12)13)14-9-5-8-10-6-3-2-4-7-10;/h2-9H,1H3,(H3,12,13);1H.
What are the key properties of (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide?
(cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide has a molecular weight of 330.17 g/mol, XLogP of -2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (cinnamylideneamino)-(diaminomethylidene)-methylazanium iodide is sourced from PubChem (CID 73188873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).