2-tert-butylazepane

• ChemBase ID: 275304
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N1C(C(C)(C)C)CCCCC1
• Canonical SMILES: CC(C1CCCCCN1)(C)C
• InChI: InChI=1S/C10H21N/c1-10(2,3)9-7-5-4-6-8-11-9/h9,11H,4-8H2,1-3H3
• InChIKey: VGMDCKSILGQMBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butylazepane
• IUPAC Traditional name: 2-tert-butylazepane
• Synonyms: 2-tert-butylazepane

Database IDs

• MDL Number: MFCD02663705
• PubChem SID: 164331214
• PubChem CID: 4020932

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.45491675
• LogD (pH = 7.4): -0.26861092
• Log P: 2.7841275
• Molar Refractivity: 49.2489 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.34

Product Information

• Purity: 95%