1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride

C10H16ClN5 — CID 657277

IUPAC1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
SMILESNC(N)=N/C(N)=N/CCc1ccccc1.[Cl-].[H+]
InChIInChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H
InChIKeyYSUCWSWKRIOILX-UHFFFAOYSA-N
MW241.73 g/mol
LogP-3.07
Rot. Bonds3

About 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride

1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride (PubChem CID 657277) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
PubChem CID657277
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
SMILESNC(N)=N/C(N)=N/CCc1ccccc1.[Cl-].[H+]
InChIInChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H
InChIKeyYSUCWSWKRIOILX-UHFFFAOYSA-N
XLogP-3.07
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 5-3.07
H-Bond Donors ≤ 53
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-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
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
1-butyl-3-(diaminomethylidene)-1-ethyl-2-(2-phenylethyl)guanidine
CID 89147471
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-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride?
The IUPAC name of 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride (CID 657277) is 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride is NC(N)=N/C(N)=N/CCc1ccccc1.[Cl-].[H+].
What is the InChIKey of 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride?
The InChIKey is YSUCWSWKRIOILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H.
What are the key properties of 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride?
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride has a molecular weight of 241.73 g/mol, XLogP of -3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride is sourced from PubChem (CID 657277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).