N-propylcyclohexanamine

• ChemBase ID: 32188
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: N(C1CCCCC1)CCC
• Canonical SMILES: CCCNC1CCCCC1
• InChI: InChI=1S/C9H19N/c1-2-8-10-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3
• InChIKey: PXKCSKRXWAZGFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylcyclohexanamine
• IUPAC Traditional name: N-propylcyclohexanamine
• Synonyms: N-Cyclohexyl-N-propylamine; N-propylcyclohexanamine

Database IDs

• CAS Number: 3592-81-2
• MDL Number: MFCD03210942
• PubChem SID: 160995495
• PubChem CID: 19178

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.75344396
• LogD (pH = 7.4): -0.5733779
• Log P: 2.4857223
• Molar Refractivity: 44.9802 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false