dicyclopentylmethanamine

• ChemBase ID: 275693
• Molecular Formular: C11H21N
• Molecular Mass: 167.29114
• Monoisotopic Mass: 167.16739968
• SMILES: C(C1CCCC1)(C1CCCC1)N
• Canonical SMILES: NC(C1CCCC1)C1CCCC1
• InChI: InChI=1S/C11H21N/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h9-11H,1-8,12H2
• InChIKey: YVMKSEXXHXATPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclopentylmethanamine
• IUPAC Traditional name: dicyclopentylmethanamine
• Synonyms: dicyclopentylmethanamine

Database IDs

• MDL Number: MFCD12807735
• PubChem SID: 164331603
• PubChem CID: 21585145

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2551321
• LogD (pH = 7.4): -0.008921863
• Log P: 2.7737374
• Molar Refractivity: 51.877 cm^3
• Polarizability: 21.091114 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.298

Product Information

• Purity: 95%