[1-(pyrrolidin-1-yl)cyclohexyl]methanamine

• ChemBase ID: 310413
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2(CN)CCCCC2)CCCC1
• Canonical SMILES: NCC1(CCCCC1)N1CCCC1
• InChI: InChI=1S/C11H22N2/c12-10-11(6-2-1-3-7-11)13-8-4-5-9-13/h1-10,12H2
• InChIKey: OWXDPLLCRZCZDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyrrolidin-1-yl)cyclohexyl]methanamine
• IUPAC Traditional name: [1-(pyrrolidin-1-yl)cyclohexyl]methanamine
• Synonyms: 1-[1-(1-pyrrolidinyl)cyclohexyl]methanamine

Database IDs

• CAS Number: 744980-79-8
• MDL Number: MFCD03419319

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5428023
• LogD (pH = 7.4): -1.654569
• Log P: 1.5220224
• Molar Refractivity: 56.3827 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2