4-methyl-decahydroquinoline

• ChemBase ID: 256915
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: N1C2C(C(CC1)C)CCCC2
• Canonical SMILES: CC1CCNC2C1CCCC2
• InChI: InChI=1S/C10H19N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h8-11H,2-7H2,1H3
• InChIKey: WPBVRISDNZUAEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-decahydroquinoline
• IUPAC Traditional name: 4-methyl-decahydroquinoline
• Synonyms: 4-methyldecahydroquinoline

Database IDs

• MDL Number: MFCD11099517
• PubChem SID: 164312825
• PubChem CID: 524017

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.00743
• LogD (pH = 7.4): -0.72233206
• 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%