1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine

C11H17N7 — CID 154046017

IUPAC1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
SMILESNC(N)=NC(N)=N/C(N)=N/CCc1ccccc1
InChIInChI=1S/C11H17N7/c12-9(13)17-11(15)18-10(14)16-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H8,12,13,14,15,16,17,18)
InChIKeyHEJWQPAEJMHPQX-UHFFFAOYSA-N
MW247.31 g/mol
LogP-0.87
Rot. Bonds3

About 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine

1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine (PubChem CID 154046017) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
PubChem CID154046017
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
SMILESNC(N)=NC(N)=N/C(N)=N/CCc1ccccc1
InChIInChI=1S/C11H17N7/c12-9(13)17-11(15)18-10(14)16-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H8,12,13,14,15,16,17,18)
InChIKeyHEJWQPAEJMHPQX-UHFFFAOYSA-N
XLogP-0.87
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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

1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
1-butyl-3-(diaminomethylidene)-1-ethyl-2-(2-phenylethyl)guanidine
CID 89147471
1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine
CID 123315426
N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide
CID 173065239
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-(2-phenylethyl)guanidine
CID 134125827
N-(diaminomethylidene)-3-phenylpropanethioamide
CID 135051861
1-(diaminomethylidene)-2-(2-phenoxyethyl)guanidine
CID 11401770
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 114165563
1-(diaminomethylidene)-3-(2,6-dichlorophenyl)-2-(2-phenylethyl)guanidine
CID 53386350
1-(diaminomethylidene)-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydrochloride
CID 11358539

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine (CID 154046017) is 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine is NC(N)=NC(N)=N/C(N)=N/CCc1ccccc1.
What is the InChIKey of 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine?
The InChIKey is HEJWQPAEJMHPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c12-9(13)17-11(15)18-10(14)16-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H8,12,13,14,15,16,17,18).
What are the key properties of 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine?
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine has a molecular weight of 247.31 g/mol, XLogP of -0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 154046017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).