[2-(cyclohex-1-en-1-yl)ethyl](cyclopropylmethyl)amine

• ChemBase ID: 311646
• Molecular Formular: C12H21N
• Molecular Mass: 179.30184
• Monoisotopic Mass: 179.16739968
• SMILES: C1CC1CNCCC1=CCCCC1
• Canonical SMILES: C1CCC(=CC1)CCNCC1CC1
• InChI: InChI=1S/C12H21N/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12/h4,12-13H,1-3,5-10H2
• InChIKey: DHRJFLBQNLJEIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohex-1-en-1-yl)ethyl](cyclopropylmethyl)amine
• IUPAC Traditional name: [2-(cyclohex-1-en-1-yl)ethyl](cyclopropylmethyl)amine
• Synonyms: (2-cyclohex-1-en-1-ylethyl)(cyclopropylmethyl)amine

Database IDs

• CAS Number: 356539-58-7
• MDL Number: MFCD03211317

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5742333
• LogD (pH = 7.4): -0.30555308
• Log P: 2.6630175
• Molar Refractivity: 57.9084 cm^3
• Polarizability: 22.705225 Å^3
• Polar Surface Area: 12.03 Å^2