1-N,1-N-dimethylcyclopentane-1,2-diamine

• ChemBase ID: 279342
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: C1(N(C)C)C(N)CCC1
• Canonical SMILES: CN(C1CCCC1N)C
• InChI: InChI=1S/C7H16N2/c1-9(2)7-5-3-4-6(7)8/h6-7H,3-5,8H2,1-2H3
• InChIKey: VCJNAZAMCYBDCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylcyclopentane-1,2-diamine
• IUPAC Traditional name: 1-N,1-N-dimethylcyclopentane-1,2-diamine
• Synonyms: 1-N,1-N-dimethylcyclopentane-1,2-diamine

Database IDs

• MDL Number: MFCD09728296
• PubChem SID: 164335252
• PubChem CID: 16781596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.731241
• LogD (pH = 7.4): -2.4636266
• Log P: 0.36308593
• Molar Refractivity: 39.4203 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): 0.52

Product Information

• Purity: 95%