N-(1-cyclopropylethyl)cyclopropanamine

• ChemBase ID: 264993
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C1(CC1)C(NC1CC1)C
• Canonical SMILES: CC(C1CC1)NC1CC1
• InChI: InChI=1S/C8H15N/c1-6(7-2-3-7)9-8-4-5-8/h6-9H,2-5H2,1H3
• InChIKey: LZSVPZOUKYTYLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopropylethyl)cyclopropanamine
• IUPAC Traditional name: N-(1-cyclopropylethyl)cyclopropanamine
• Synonyms: N-(1-cyclopropylethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD09049645
• PubChem SID: 164320903
• PubChem CID: 16777195

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7631377
• LogD (pH = 7.4): -1.3456421
• Log P: 1.4698384
• Molar Refractivity: 38.2654 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.348

Product Information

• Purity: 95%