2-ethylcyclopentan-1-amine

• ChemBase ID: 237503
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(C(CCC1)CC)N
• Canonical SMILES: CCC1CCCC1N
• InChI: InChI=1S/C7H15N/c1-2-6-4-3-5-7(6)8/h6-7H,2-5,8H2,1H3
• InChIKey: VFMPCBSRNCHHKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylcyclopentan-1-amine
• IUPAC Traditional name: 2-ethylcyclopentan-1-amine
• Synonyms: 2-ethylcyclopentan-1-amine

Database IDs

• MDL Number: MFCD09035916
• PubChem SID: 164293413
• PubChem CID: 13247957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.489601
• LogD (pH = 7.4): -1.2226158
• Log P: 1.5387845
• Molar Refractivity: 35.4046 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.856

Product Information

• Purity: 95%