(1-methylcycloheptyl)methanamine

• ChemBase ID: 247207
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C1(CN)(C)CCCCCC1
• Canonical SMILES: NCC1(C)CCCCCC1
• InChI: InChI=1S/C9H19N/c1-9(8-10)6-4-2-3-5-7-9/h2-8,10H2,1H3
• InChIKey: UAUZBQBZKWBDDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylcycloheptyl)methanamine
• IUPAC Traditional name: (1-methylcycloheptyl)methanamine
• Synonyms: (1-methylcycloheptyl)methanamine

Database IDs

• MDL Number: MFCD11878544
• PubChem SID: 164303117
• PubChem CID: 55285912

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.70399976
• LogD (pH = 7.4): -0.088385694
• Log P: 2.311394
• Molar Refractivity: 44.6629 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.064

Product Information

• Purity: 95%