(1-methylcyclopentyl)methanamine

• ChemBase ID: 309579
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(CN)(C)CCCC1
• Canonical SMILES: NCC1(C)CCCC1
• InChI: InChI=1S/C7H15N/c1-7(6-8)4-2-3-5-7/h2-6,8H2,1H3
• InChIKey: GCMLGSALHMDQFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 100555-73-5
• MDL Number: MFCD02690451

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.593137
• LogD (pH = 7.4): -0.977523
• Log P: 1.4222566
• Molar Refractivity: 35.4609 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2