2-(cyclopentylmethyl)cyclohexan-1-amine

• ChemBase ID: 285149
• Molecular Formular: C12H23N
• Molecular Mass: 181.31772
• Monoisotopic Mass: 181.18304974
• SMILES: C1(CC2CCCC2)C(N)CCCC1
• Canonical SMILES: NC1CCCCC1CC1CCCC1
• InChI: InChI=1S/C12H23N/c13-12-8-4-3-7-11(12)9-10-5-1-2-6-10/h10-12H,1-9,13H2
• InChIKey: VGKVSISPFMJALL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylmethyl)cyclohexan-1-amine
• IUPAC Traditional name: 2-(cyclopentylmethyl)cyclohexan-1-amine
• Synonyms: 2-(cyclopentylmethyl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD14653817
• PubChem SID: 180670680
• PubChem CID: 55133799

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.11197338
• LogD (pH = 7.4): 0.37923306
• Log P: 3.1403522
• Molar Refractivity: 56.555 cm^3
• Polarizability: 22.937813 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.977

Product Information

• Purity: 95%