hept-6-en-2-amine

• ChemBase ID: 247126
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C(=C)CCCC(N)C
• Canonical SMILES: C=CCCCC(N)C
• InChI: InChI=1S/C7H15N/c1-3-4-5-6-7(2)8/h3,7H,1,4-6,8H2,2H3
• InChIKey: AGBVYRPRJCPFPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hept-6-en-2-amine
• IUPAC Traditional name: hept-6-en-2-amine
• Synonyms: hept-6-en-2-amine

Database IDs

• MDL Number: MFCD08453687
• PubChem SID: 164303036
• PubChem CID: 54516059

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3274921
• LogD (pH = 7.4): -1.0310304
• Log P: 1.7001646
• Molar Refractivity: 37.4573 cm^3
• Polarizability: 14.95949 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.806

Product Information

• Purity: 95%