1-cyclohexylguanidine

• ChemBase ID: 306608
• Molecular Formular: C7H15N3
• Molecular Mass: 141.2141
• Monoisotopic Mass: 141.1265975
• SMILES: C(=N)(NC1CCCCC1)N
• Canonical SMILES: NC(=N)NC1CCCCC1
• InChI: InChI=1S/C7H15N3/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,8,9,10)
• InChIKey: AJGAPBXTFUSKNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylguanidine
• IUPAC Traditional name: 1-cyclohexylguanidine
• Synonyms: N-cyclohexylguanidine

Database IDs

• CAS Number: 14948-83-5
• MDL Number: MFCD02729215

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.5754117
• LogD (pH = 7.4): -1.5748891
• Log P: 0.8400409
• Molar Refractivity: 51.6476 cm^3
• Polarizability: 15.892349 Å^3
• Polar Surface Area: 61.9 Å^2