(2-methylcyclopentyl)methanamine

• ChemBase ID: 118912
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(C(CCC1)C)CN
• Canonical SMILES: NCC1CCCC1C
• InChI: InChI=1S/C7H15N/c1-6-3-2-4-7(6)5-8/h6-7H,2-5,8H2,1H3
• InChIKey: AXJPIFGJTJJDJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylcyclopentyl)methanamine
• IUPAC Traditional name: (2-methylcyclopentyl)methanamine
• Synonyms: [(2-methylcyclopentyl)methyl]amine hydrochloride

Database IDs

• MDL Number: MFCD16661139
• PubChem SID: 162102962
• PubChem CID: 22992901

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6928543
• LogD (pH = 7.4): -1.2771995
• Log P: 1.3312749
• Molar Refractivity: 35.6114 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.435

Product Information

• Purity: 95+%
• Salt Data: HCl