N-(2-aminoethyl)-N-(cyclopropylmethyl)cyclopropanamine

• ChemBase ID: 269786
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C1(CC1)N(CC1CC1)CCN
• Canonical SMILES: NCCN(C1CC1)CC1CC1
• InChI: InChI=1S/C9H18N2/c10-5-6-11(9-3-4-9)7-8-1-2-8/h8-9H,1-7,10H2
• InChIKey: UVIXQZKWDUIDEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-N-(cyclopropylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(2-aminoethyl)-N-(cyclopropylmethyl)cyclopropanamine
• Synonyms: N-(2-aminoethyl)-N-(cyclopropylmethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD14627855
• PubChem SID: 164325696
• PubChem CID: 50989773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.091906
• LogD (pH = 7.4): -1.8548578
• Log P: 0.63932747
• Molar Refractivity: 47.0911 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.234

Product Information

• Purity: 95%