2-ethylcyclohexan-1-amine

• ChemBase ID: 256997
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1(C(CC)CCCC1)N
• Canonical SMILES: CCC1CCCCC1N
• InChI: InChI=1S/C8H17N/c1-2-7-5-3-4-6-8(7)9/h7-8H,2-6,9H2,1H3
• InChIKey: QOPVVDFTPKWSFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylcyclohexan-1-amine
• IUPAC Traditional name: 2-ethylcyclohexan-1-amine
• Synonyms: 2-ethylcyclohexanamine

Database IDs

• MDL Number: MFCD09035914
• PubChem SID: 164312907
• PubChem CID: 544854

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0450324
• LogD (pH = 7.4): -0.7780497
• Log P: 1.9833531
• Molar Refractivity: 40.0056 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.415

Product Information

• Purity: 95%