N-(3-aminopropyl)-N-cyclopropylcyclobutanecarboxamide hydrochloride

• ChemBase ID: 272610
• Molecular Formular: C11H21ClN2O
• Molecular Mass: 232.75024
• Monoisotopic Mass: 232.13424098
• SMILES: C(=O)(N(C1CC1)CCCN)C1CCC1.Cl
• Canonical SMILES: NCCCN(C(=O)C1CCC1)C1CC1.Cl
• InChI: InChI=1S/C11H20N2O.ClH/c12-7-2-8-13(10-5-6-10)11(14)9-3-1-4-9;/h9-10H,1-8,12H2;1H
• InChIKey: VDEDZMYTHDDUJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminopropyl)-N-cyclopropylcyclobutanecarboxamide hydrochloride
• IUPAC Traditional name: N-(3-aminopropyl)-N-cyclopropylcyclobutanecarboxamide hydrochloride
• Synonyms: N-(3-aminopropyl)-N-cyclopropylcyclobutanecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD18380729
• PubChem SID: 164328520
• PubChem CID: 50988729

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6385534
• LogD (pH = 7.4): -1.9142406
• Log P: 0.36996916
• Molar Refractivity: 56.2859 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 0.812

Product Information

• Purity: 95%