2-(cyclopentylideneamino)guanidine hydrochloride

• ChemBase ID: 81860
• Molecular Formular: C6H13ClN4
• Molecular Mass: 176.64722
• Monoisotopic Mass: 176.08287412
• SMILES: N(=C(N)N)N=C1CCCC1.Cl
• Canonical SMILES: NC(=NN=C1CCCC1)N.Cl
• InChI: InChI=1S/C6H12N4.ClH/c7-6(8)10-9-5-3-1-2-4-5;/h1-4H2,(H4,7,8,10);1H
• InChIKey: GVFNSUOAHHIPTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylideneamino)guanidine hydrochloride
• IUPAC Traditional name: 2-(cyclopentylideneamino)guanidine hydrochloride
• Synonyms: N'-cyclopentylidenaminomethanehydrazonamide hydrochloride

Database IDs

• MDL Number: MFCD00219276
• PubChem SID: 162068979
• PubChem CID: 2777854

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.1208086
• LogD (pH = 7.4): -1.3005407
• Log P: -0.13711295
• Molar Refractivity: 39.5474 cm^3
• Polarizability: 14.7911415 Å^3
• Polar Surface Area: 76.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true