N-(cyclohexylmethyl)cyclopentanamine

• ChemBase ID: 29260
• Molecular Formular: C12H23N
• Molecular Mass: 181.31772
• Monoisotopic Mass: 181.18304974
• SMILES: N(CC1CCCCC1)C1CCCC1
• Canonical SMILES: C1CCC(CC1)CNC1CCCC1
• InChI: InChI=1S/C12H23N/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h11-13H,1-10H2
• InChIKey: CVVXWQHFMDYTSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)cyclopentanamine
• IUPAC Traditional name: N-(cyclohexylmethyl)cyclopentanamine
• Synonyms: N-(Cyclohexylmethyl)cyclopentanamine

Database IDs

• MDL Number: MFCD08758142
• PubChem SID: 160992567
• PubChem CID: 17157251

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.036323737
• LogD (pH = 7.4): 0.18342748
• Log P: 3.2761066
• Molar Refractivity: 56.8516 cm^3
• Polarizability: 22.937813 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false