[1-(2-methylpiperidin-1-yl)cyclopentyl]methanamine

• ChemBase ID: 19366
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(C2(CN)CCCC2)C(C)CCCC1
• Canonical SMILES: NCC1(CCCC1)N1CCCCC1C
• InChI: InChI=1S/C12H24N2/c1-11-6-2-5-9-14(11)12(10-13)7-3-4-8-12/h11H,2-10,13H2,1H3
• InChIKey: ZVSMNJRHMJYPIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methylpiperidin-1-yl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(2-methylpiperidin-1-yl)cyclopentyl]methanamine
• Synonyms: C-[1-(2-Methyl-piperidin-1-yl)-cyclopentyl]-methylamine

Database IDs

• MDL Number: MFCD08688355
• PubChem SID: 160982673
• PubChem CID: 24711835

CALCULATED PROPERTIES

• Molar Refractivity: 60.8015 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1154318
• LogD (pH = 7.4): -1.2370459
• Log P: 1.9385974

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false