N-cyclopropyl-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 261493
• Molecular Formular: C12H15N
• Molecular Mass: 173.2542
• Monoisotopic Mass: 173.12044949
• SMILES: C1(NC2CC2)c2c(CC1)cccc2
• Canonical SMILES: c1ccc2c(c1)C(CC2)NC1CC1
• InChI: InChI=1S/C12H15N/c1-2-4-11-9(3-1)5-8-12(11)13-10-6-7-10/h1-4,10,12-13H,5-8H2
• InChIKey: MTEKEZBZHMHEHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: N-cyclopropyl-2,3-dihydro-1H-inden-1-amine
• Synonyms: N-cyclopropyl-2,3-dihydro-1H-inden-1-amine

Database IDs

• MDL Number: MFCD09044931
• PubChem SID: 164317403
• PubChem CID: 16772611

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.64195126
• LogD (pH = 7.4): 0.39343643
• Log P: 2.5413835
• Molar Refractivity: 54.098 cm^3
• Polarizability: 21.410618 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.508

Product Information

• Purity: 95%