1-N-cyclopentyl-1-N-methylbenzene-1,2-diamine

• ChemBase ID: 238887
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N(c1c(N)cccc1)(C1CCCC1)C
• Canonical SMILES: CN(c1ccccc1N)C1CCCC1
• InChI: InChI=1S/C12H18N2/c1-14(10-6-2-3-7-10)12-9-5-4-8-11(12)13/h4-5,8-10H,2-3,6-7,13H2,1H3
• InChIKey: CIERFURFTWJJLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11625009
• PubChem SID: 164294797
• PubChem CID: 43266943

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.417478
• LogD (pH = 7.4): 2.6040812
• Log P: 2.6070657
• Molar Refractivity: 61.6002 cm^3
• Polarizability: 22.951077 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.552

Product Information

• Purity: 95%