6-methyl-decahydroquinoline

• ChemBase ID: 263676
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: N1C2C(CC(CC2)C)CCC1
• Canonical SMILES: CC1CCC2C(C1)CCCN2
• InChI: InChI=1S/C10H19N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h8-11H,2-7H2,1H3
• InChIKey: ROZZTFNAIYMQEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-decahydroquinoline
• IUPAC Traditional name: 6-methyl-decahydroquinoline
• Synonyms: 6-methyl-decahydroquinoline

Database IDs

• MDL Number: MFCD09927870
• PubChem SID: 164319586
• PubChem CID: 429040

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0074468
• LogD (pH = 7.4): -0.72301966
• Log P: 2.2294197
• Molar Refractivity: 47.5972 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.886

Product Information

• Purity: 95%