N-(1-cyclopropylethyl)cyclopropanamine hydrochloride

• ChemBase ID: 255092
• Molecular Formular: C8H16ClN
• Molecular Mass: 161.67234
• Monoisotopic Mass: 161.0971272
• SMILES: C1(CC1)C(NC1CC1)C.Cl
• Canonical SMILES: CC(C1CC1)NC1CC1.Cl
• InChI: InChI=1S/C8H15N.ClH/c1-6(7-2-3-7)9-8-4-5-8;/h6-9H,2-5H2,1H3;1H
• InChIKey: UBTJECKPRHJYRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971420
• PubChem SID: 164311002
• PubChem CID: 24686266

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

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 1.118

Product Information

• Purity: 95%