N-(3-methylbutyl)cyclopentanamine

• ChemBase ID: 255567
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N(CCC(C)C)C1CCCC1
• Canonical SMILES: CC(CCNC1CCCC1)C
• InChI: InChI=1S/C10H21N/c1-9(2)7-8-11-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3
• InChIKey: FVOLGLBAXIMDIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylbutyl)cyclopentanamine
• IUPAC Traditional name: N-(3-methylbutyl)cyclopentanamine
• Synonyms: N-(3-methylbutyl)cyclopentanamine

Database IDs

• MDL Number: MFCD11139817
• PubChem SID: 164311477
• PubChem CID: 28428769

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.46610773
• LogD (pH = 7.4): -0.27003333
• Log P: 2.7727416
• Molar Refractivity: 49.5288 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.94

Product Information

• Purity: 95%