4-propylcyclohexan-1-amine

• ChemBase ID: 263098
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: NC1CCC(CC1)CCC
• Canonical SMILES: CCCC1CCC(CC1)N
• InChI: InChI=1S/C9H19N/c1-2-3-8-4-6-9(10)7-5-8/h8-9H,2-7,10H2,1H3
• InChIKey: OZUBMBIDHPBIDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propylcyclohexan-1-amine
• IUPAC Traditional name: 4-propylcyclohexan-1-amine
• Synonyms: 4-propylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD11156904
• PubChem SID: 164319008
• PubChem CID: 544651

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6779769
• LogD (pH = 7.4): -0.39293218
• Log P: 2.3499682
• Molar Refractivity: 44.6836 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): 2.944

Product Information

• Purity: 95%