[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine

• ChemBase ID: 242380
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(C)C)[C@H](CN)CCC1
• Canonical SMILES: NC[C@@H]1CCCN1CC(C)C
• InChI: InChI=1S/C9H20N2/c1-8(2)7-11-5-3-4-9(11)6-10/h8-9H,3-7,10H2,1-2H3/t9-/m0/s1
• InChIKey: NLURJNHWDOYZEK-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine
• IUPAC Traditional name: [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine
• Synonyms: [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanamine

Database IDs

• MDL Number: MFCD22405713
• PubChem SID: 164298290
• PubChem CID: 71757006

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8731217
• LogD (pH = 7.4): -1.9157469
• Log P: 1.1030533
• Molar Refractivity: 48.8933 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.771

Product Information

• Purity: 95%