1-cyclopentylethan-1-amine

• ChemBase ID: 274168
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C(C1CCCC1)(N)C
• Canonical SMILES: CC(C1CCCC1)N
• InChI: InChI=1S/C7H15N/c1-6(8)7-4-2-3-5-7/h6-7H,2-5,8H2,1H3
• InChIKey: NLHIUUMEKSNMLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylethan-1-amine
• IUPAC Traditional name: 1-cyclopentylethanamine
• Synonyms: 1-cyclopentylethan-1-amine; (1-cyclopentylethyl)amine

Database IDs

• CAS Number: 38118-79-5
• MDL Number: MFCD08704278
• PubChem SID: 164330078
• PubChem CID: 10996991

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5671235
• LogD (pH = 7.4): -1.2824488
• Log P: 1.4608308
• Molar Refractivity: 35.4816 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

• Hydrophobicity(logP): 1.736

Product Information

• Purity: 95%