(hept-6-en-1-yl)(methyl)amine

• ChemBase ID: 277965
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C(=C)CCCCCNC
• Canonical SMILES: CNCCCCCC=C
• InChI: InChI=1S/C8H17N/c1-3-4-5-6-7-8-9-2/h3,9H,1,4-8H2,2H3
• InChIKey: RHYADGCARWUNMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (hept-6-en-1-yl)(methyl)amine
• IUPAC Traditional name: hept-6-en-1-yl(methyl)amine
• Synonyms: hept-6-en-1-yl(methyl)amine

Database IDs

• MDL Number: MFCD19218490
• PubChem SID: 164333875
• PubChem CID: 17825216

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0744976
• LogD (pH = 7.4): -0.7291178
• Log P: 2.1607385
• Molar Refractivity: 42.4141 cm^3
• Polarizability: 16.806469 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.172

Product Information

• Purity: 95%