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

• ChemBase ID: 118664
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: C1(=CCCCC1)CCNCC
• Canonical SMILES: CCNCCC1=CCCCC1
• InChI: InChI=1S/C10H19N/c1-2-11-9-8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3
• InChIKey: JAROGWBXHJVFDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohex-1-en-1-yl)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(cyclohex-1-en-1-yl)ethyl](ethyl)amine
• Synonyms: (2-Cyclohex-1-en-1-ylethyl)ethylamine hydrochloride; (2-cyclohex-1-en-1-ylethyl)ethylamine

Database IDs

• CAS Number: 356530-87-5
• MDL Number: MFCD03210694; MFCD03930953
• PubChem SID: 162102703
• PubChem CID: 5152163

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9957157
• LogD (pH = 7.4): -0.6409645
• Log P: 2.2392483
• Molar Refractivity: 50.715 cm^3
• Polarizability: 19.754925 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.598

Product Information

• Purity: 95+%
• Salt Data: HCl