3-cyclohexylpropan-1-amine

• ChemBase ID: 257316
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: NCCCC1CCCCC1
• Canonical SMILES: NCCCC1CCCCC1
• InChI: InChI=1S/C9H19N/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8,10H2
• InChIKey: KPOYTMZDCUXJBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexylpropan-1-amine
• IUPAC Traditional name: 3-cyclohexylpropan-1-amine
• Synonyms: 3-cyclohexylpropan-1-amine; 3-CYCLOHEXYL-PROPYLAMINE

Database IDs

• CAS Number: 4361-44-8
• MDL Number: MFCD00058670
• PubChem SID: 164313226
• PubChem CID: 12666390

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7239739
• LogD (pH = 7.4): -0.30401284
• Log P: 2.300008
• Molar Refractivity: 44.9428 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.044

Product Information

• Purity: 95%; 98%