N-(2,2-dimethylpropyl)cyclohexanamine

• ChemBase ID: 29064
• Molecular Formular: C11H23N
• Molecular Mass: 169.30702
• Monoisotopic Mass: 169.18304974
• SMILES: N(CC(C)(C)C)C1CCCCC1
• Canonical SMILES: CC(CNC1CCCCC1)(C)C
• InChI: InChI=1S/C11H23N/c1-11(2,3)9-12-10-7-5-4-6-8-10/h10,12H,4-9H2,1-3H3
• InChIKey: JGWIKJLIVDTWHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethylpropyl)cyclohexanamine
• IUPAC Traditional name: N-(2,2-dimethylpropyl)cyclohexanamine
• Synonyms: N-Neopentylcyclohexanamine

Database IDs

• MDL Number: MFCD10687701
• PubChem SID: 160992371
• PubChem CID: 20454195

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.010770796
• LogD (pH = 7.4): 0.15354727
• Log P: 3.228696
• Molar Refractivity: 53.8499 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false