(2-amino-1-cyclohexylethyl)dimethylamine

• ChemBase ID: 257622
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: C(N(C)C)(C1CCCCC1)CN
• Canonical SMILES: NCC(C1CCCCC1)N(C)C
• InChI: InChI=1S/C10H22N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h9-10H,3-8,11H2,1-2H3
• InChIKey: SKVJPJNCPKDEAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-1-cyclohexylethyl)dimethylamine
• IUPAC Traditional name: (2-amino-1-cyclohexylethyl)dimethylamine
• Synonyms: N-(2-amino-1-cyclohexylethyl)-N,N-dimethylamine

Database IDs

• MDL Number: MFCD08444516
• PubChem SID: 164313532
• PubChem CID: 16228005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2513008
• LogD (pH = 7.4): -0.9918429
• Log P: 1.567236
• Molar Refractivity: 53.3531 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.107

Product Information

• Purity: 95%