1-cyclohexylpropan-1-amine

• ChemBase ID: 267499
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C(C1CCCCC1)(N)CC
• Canonical SMILES: CCC(C1CCCCC1)N
• InChI: InChI=1S/C9H19N/c1-2-9(10)8-6-4-3-5-7-8/h8-9H,2-7,10H2,1H3
• InChIKey: UJAHMMDIDKVNLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpropan-1-amine
• IUPAC Traditional name: 1-cyclohexylpropan-1-amine
• Synonyms: 1-cyclohexylpropan-1-amine

Database IDs

• MDL Number: MFCD12154070
• PubChem SID: 164323409
• PubChem CID: 14743607

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.60054785
• LogD (pH = 7.4): -0.33710352
• Log P: 2.4279218
• Molar Refractivity: 44.6066 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.824

Product Information

• Purity: 95%