(1-cyclopropylpyrrolidin-3-yl)methanamine

• ChemBase ID: 116532
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(C2CC2)CC(CC1)CN
• Canonical SMILES: NCC1CCN(C1)C1CC1
• InChI: InChI=1S/C8H16N2/c9-5-7-3-4-10(6-7)8-1-2-8/h7-8H,1-6,9H2
• InChIKey: SEWUODUTOWYMCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropylpyrrolidin-3-yl)methanamine
• IUPAC Traditional name: (1-cyclopropylpyrrolidin-3-yl)methanamine
• Synonyms: (1-Cyclopropyl-3-pyrrolidinyl)methanamine; (1-cyclopropylpyrrolidin-3-yl)methylamine; 1-(1-cyclopropyl-3-pyrrolidinyl)methanamine

Database IDs

• CAS Number: 1017474-07-5
• MDL Number: MFCD09932873
• PubChem SID: 162101759
• PubChem CID: 19102744

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.2342067
• LogD (pH = 7.4): -4.225087
• Log P: -0.07549939
• Molar Refractivity: 42.6993 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.281
• Hydrophobicity(logP): -0.452

Product Information

• Purity: 95%; 95+%