N-(3-methylpentan-2-yl)cyclopropanamine

• ChemBase ID: 270925
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: N(C1CC1)C(C(CC)C)C
• Canonical SMILES: CCC(C(NC1CC1)C)C
• InChI: InChI=1S/C9H19N/c1-4-7(2)8(3)10-9-5-6-9/h7-10H,4-6H2,1-3H3
• InChIKey: WUJHOANSHGBYHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylpentan-2-yl)cyclopropanamine
• IUPAC Traditional name: N-(3-methylpentan-2-yl)cyclopropanamine
• Synonyms: N-(3-methylpentan-2-yl)cyclopropanamine

Database IDs

• MDL Number: MFCD11156828
• PubChem SID: 164326835
• PubChem CID: 43200333

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85661787
• LogD (pH = 7.4): -0.4946744
• Log P: 2.3781328
• Molar Refractivity: 44.6686 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.361

Product Information

• Purity: 95%