2,2-dimethylcyclopentan-1-amine

• ChemBase ID: 235439
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(C(N)CCC1)(C)C
• Canonical SMILES: NC1CCCC1(C)C
• InChI: InChI=1S/C7H15N/c1-7(2)5-3-4-6(7)8/h6H,3-5,8H2,1-2H3
• InChIKey: NODFGJYBXPEUCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylcyclopentan-1-amine
• IUPAC Traditional name: 2,2-dimethylcyclopentan-1-amine
• Synonyms: 2,2-dimethylcyclopentan-1-amine

Database IDs

• MDL Number: MFCD13192715
• PubChem SID: 164291349
• PubChem CID: 15196532

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5517979
• LogD (pH = 7.4): -1.1327869
• Log P: 1.4722167
• Molar Refractivity: 35.2017 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.846

Product Information

• Purity: 95%