azepan-2-ylmethanamine

• ChemBase ID: 249206
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1C(CN)CCCCC1
• Canonical SMILES: NCC1CCCCCN1
• InChI: InChI=1S/C7H16N2/c8-6-7-4-2-1-3-5-9-7/h7,9H,1-6,8H2
• InChIKey: QCSYMWLANYRIAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azepan-2-ylmethanamine
• IUPAC Traditional name: azepan-2-ylmethanamine
• Synonyms: azepan-2-ylmethanamine

Database IDs

• MDL Number: MFCD19203291
• PubChem SID: 164305116
• PubChem CID: 12320921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.5447407
• LogD (pH = 7.4): -2.604345
• Log P: 0.36483958
• Molar Refractivity: 39.0564 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.887

Product Information

• Purity: 95%