octahydro-1H-inden-5-amine

• ChemBase ID: 282851
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: C12CC(N)CCC1CCC2
• Canonical SMILES: NC1CCC2C(C1)CCC2
• InChI: InChI=1S/C9H17N/c10-9-5-4-7-2-1-3-8(7)6-9/h7-9H,1-6,10H2
• InChIKey: UYUWBPXEXFNUAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydro-1H-inden-5-amine
• IUPAC Traditional name: octahydro-1H-inden-5-amine
• Synonyms: octahydro-1H-inden-5-amine

Database IDs

• MDL Number: MFCD20441706
• PubChem SID: 180668382
• PubChem CID: 54595557

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2991546
• LogD (pH = 7.4): -1.0102048
• Log P: 1.7286927
• Molar Refractivity: 42.829 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.24

Product Information

• Purity: 95%