(cyclopropylmethyl)(prop-2-en-1-yl)amine

• ChemBase ID: 242697
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C1CC1CNCC=C
• Canonical SMILES: C=CCNCC1CC1
• InChI: InChI=1S/C7H13N/c1-2-5-8-6-7-3-4-7/h2,7-8H,1,3-6H2
• InChIKey: HCKGOMVEFZLDBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(prop-2-en-1-yl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(prop-2-en-1-yl)amine
• Synonyms: (cyclopropylmethyl)(prop-2-en-1-yl)amine

Database IDs

• MDL Number: MFCD12138689
• PubChem SID: 164298607
• PubChem CID: 20460830

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.898169
• LogD (pH = 7.4): -1.1690564
• Log P: 1.3189486
• Molar Refractivity: 35.7981 cm^3
• Polarizability: 14.213848 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.229

Product Information

• Purity: 95%