1-cyclohexylbutan-1-amine

• ChemBase ID: 269772
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: C(C1CCCCC1)(N)CCC
• Canonical SMILES: CCCC(C1CCCCC1)N
• InChI: InChI=1S/C10H21N/c1-2-6-10(11)9-7-4-3-5-8-9/h9-10H,2-8,11H2,1H3
• InChIKey: XBBUVRNYVXYZEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylbutan-1-amine
• IUPAC Traditional name: 1-cyclohexylbutan-1-amine
• Synonyms: 1-cyclohexylbutan-1-amine

Database IDs

• MDL Number: MFCD12154077
• PubChem SID: 164325682
• PubChem CID: 19875354

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.15589507
• LogD (pH = 7.4): 0.11108832
• Log P: 2.8724904
• Molar Refractivity: 49.2076 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.353

Product Information

• Purity: 95%