1-N,1-N-dimethylcyclopentane-1,3-diamine

• ChemBase ID: 235777
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: CN(C)C1CCC(N)C1
• Canonical SMILES: NC1CCC(C1)N(C)C
• InChI: InChI=1S/C7H16N2/c1-9(2)7-4-3-6(8)5-7/h6-7H,3-5,8H2,1-2H3
• InChIKey: JKGFHDQYKCAVBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylcyclopentane-1,3-diamine
• IUPAC Traditional name: 1-N,1-N-dimethylcyclopentane-1,3-diamine
• Synonyms: N,N-dimethylcyclopentane-1,3-diamine

Database IDs

• MDL Number: MFCD19214332
• PubChem SID: 164291687
• PubChem CID: 55283960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.162227
• LogD (pH = 7.4): -4.2253466
• Log P: -0.021522997
• Molar Refractivity: 39.6847 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.285

Product Information

• Purity: 95%