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

• ChemBase ID: 308557
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C(=C)CNCCC
• Canonical SMILES: CCCNCC=C
• InChI: InChI=1S/C6H13N/c1-3-5-7-6-4-2/h3,7H,1,4-6H2,2H3
• InChIKey: HUEPADWXXGLLSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-en-1-yl)(propyl)amine
• IUPAC Traditional name: allylpropylamine
• Synonyms: N-propyl-2-propen-1-amine

Database IDs

• CAS Number: 5666-21-7
• MDL Number: MFCD11138143

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7987102
• LogD (pH = 7.4): -1.0600132
• Log P: 1.4177017
• Molar Refractivity: 33.1287 cm^3
• Polarizability: 13.112529 Å^3
• Polar Surface Area: 12.03 Å^2