(1-cyclohexylpyrrolidin-3-yl)methanamine

• ChemBase ID: 307679
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CC(CC1)CN)C1CCCCC1
• Canonical SMILES: NCC1CCN(C1)C1CCCCC1
• InChI: InChI=1S/C11H22N2/c12-8-10-6-7-13(9-10)11-4-2-1-3-5-11/h10-11H,1-9,12H2
• InChIKey: SIQRKOMGBAVKOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclohexylpyrrolidin-3-yl)methanamine
• IUPAC Traditional name: (1-cyclohexylpyrrolidin-3-yl)methanamine
• Synonyms: 1-(1-cyclohexyl-3-pyrrolidinyl)methanamine

Database IDs

• CAS Number: 914202-86-1
• MDL Number: MFCD09759246

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.817654
• LogD (pH = 7.4): -2.9924319
• Log P: 1.2582066
• Molar Refractivity: 56.5023 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2