[amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride

C9H14ClN5 — CID 85468707

IUPAC[amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride
SMILESNC(N)=N/C(N)=[NH+]/Cc1ccccc1.[Cl-]
InChIInChI=1S/C9H13N5.ClH/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H6,10,11,12,13,14);1H
InChIKeyAQJYNUYNAIBZPG-UHFFFAOYSA-N
MW227.70 g/mol
LogP-5.14
Rot. Bonds2

About [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride

[amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride (PubChem CID 85468707) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride.

Molecular Properties

Compound Name[amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride
PubChem CID85468707
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name[amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride
SMILESNC(N)=N/C(N)=[NH+]/Cc1ccccc1.[Cl-]
InChIInChI=1S/C9H13N5.ClH/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H6,10,11,12,13,14);1H
InChIKeyAQJYNUYNAIBZPG-UHFFFAOYSA-N
XLogP-5.14
TPSA104.39 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 5-5.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino-(diaminomethylideneamino)methylidene]-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]azanium
CID 153173091
[amino-(diaminomethylideneamino)methylidene]-benzyl-methylazanium chloride
CID 135624038
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
benzyl(dianilinomethylidene)azanium bromide
CID 45124278
N-(diaminomethylidene)-3-phenylpropanethioamide
CID 135051861
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
N-(diaminomethylidene)-5-phenylpentanamide
CID 56974578
diaminomethylidenecarbamoyloxymethyl 2-phenylacetate
CID 146031564
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
[amino-(diaminomethylideneamino)methylidene]-ethyl-phenylazanium chloride
CID 163325156
1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine
CID 24835754
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420

Frequently Asked Questions

What is the IUPAC name of [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride?
The IUPAC name of [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride (CID 85468707) is [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride.
What is the SMILES notation for [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride?
The canonical SMILES for [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride is NC(N)=N/C(N)=[NH+]/Cc1ccccc1.[Cl-].
What is the InChIKey of [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride?
The InChIKey is AQJYNUYNAIBZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5.ClH/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H6,10,11,12,13,14);1H.
What are the key properties of [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride?
[amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride has a molecular weight of 227.70 g/mol, XLogP of -5.14, 2 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(diaminomethylideneamino)methylidene]-benzylazanium chloride is sourced from PubChem (CID 85468707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).