3,3-dimethyl-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 240922
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(c2c(C(C1)N)cccc2)(C)C
• Canonical SMILES: NC1CC(c2c1cccc2)(C)C
• InChI: InChI=1S/C11H15N/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-6,10H,7,12H2,1-2H3
• InChIKey: FVTHKMZSEWUHSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 3,3-dimethyl-1,2-dihydroinden-1-amine
• Synonyms: 3,3-dimethyl-2,3-dihydro-1H-inden-1-amine

Database IDs

• MDL Number: MFCD09035364
• PubChem SID: 164296832
• PubChem CID: 23008936

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7752937
• LogD (pH = 7.4): -0.01242285
• Log P: 2.2303047
• Molar Refractivity: 51.1359 cm^3
• Polarizability: 20.306112 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.546

Product Information

• Purity: 95%