N-(2-aminoethyl)-N-(propan-2-yl)cyclopropanamine

• ChemBase ID: 269863
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1(N(C(C)C)CCN)CC1
• Canonical SMILES: NCCN(C1CC1)C(C)C
• InChI: InChI=1S/C8H18N2/c1-7(2)10(6-5-9)8-3-4-8/h7-8H,3-6,9H2,1-2H3
• InChIKey: OHVBKCDWGYTWFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-N-(propan-2-yl)cyclopropanamine
• IUPAC Traditional name: N-(2-aminoethyl)-N-isopropylcyclopropanamine
• Synonyms: N-(2-aminoethyl)-N-(propan-2-yl)cyclopropanamine

Database IDs

• MDL Number: MFCD14627889
• PubChem SID: 164325773
• PubChem CID: 10419294

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0563252
• LogD (pH = 7.4): -1.8408545
• Log P: 0.6321332
• Molar Refractivity: 44.3165 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.099

Product Information

• Purity: 95%