N-(2-amino-2-cyclopropylpropyl)cyclopropanamine

• ChemBase ID: 285326
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C1(CC1)C(CNC1CC1)(N)C
• Canonical SMILES: CC(C1CC1)(CNC1CC1)N
• InChI: InChI=1S/C9H18N2/c1-9(10,7-2-3-7)6-11-8-4-5-8/h7-8,11H,2-6,10H2,1H3
• InChIKey: HKUUDIPOJVUKCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-2-cyclopropylpropyl)cyclopropanamine
• IUPAC Traditional name: N-(2-amino-2-cyclopropylpropyl)cyclopropanamine
• Synonyms: N-(2-amino-2-cyclopropylpropyl)cyclopropanamine

Database IDs

• MDL Number: MFCD12796722
• PubChem SID: 180670857
• PubChem CID: 56828409

CALCULATED PROPERTIES

• LogD (pH = 5.5): -4.616902
• LogD (pH = 7.4): -2.5035963
• Log P: 0.59662324
• Molar Refractivity: 46.1048 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.34

Product Information

• Purity: 95%