N-propylcyclopentanamine

• ChemBase ID: 32205
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N(C1CCCC1)CCC
• Canonical SMILES: CCCNC1CCCC1
• InChI: InChI=1S/C8H17N/c1-2-7-9-8-5-3-4-6-8/h8-9H,2-7H2,1H3
• InChIKey: OPZNSPHUHIXVGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylcyclopentanamine
• IUPAC Traditional name: N-propylcyclopentanamine
• Synonyms: N-Cyclopentyl-N-propylamine; N-propylcyclopentanamine

Database IDs

• CAS Number: 39190-95-9
• MDL Number: MFCD08691712
• PubChem SID: 160995512
• PubChem CID: 12487536

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1976566
• LogD (pH = 7.4): -0.99965966
• Log P: 2.0411537
• Molar Refractivity: 40.3792 cm^3
• Polarizability: 16.292534 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