hexahydro-1H-pyrrolo[2,1-c]morpholin-3-ylmethanamine

• ChemBase ID: 265835
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N12CC(OCC1CCC2)CN
• Canonical SMILES: NCC1OCC2N(C1)CCC2
• InChI: InChI=1S/C8H16N2O/c9-4-8-5-10-3-1-2-7(10)6-11-8/h7-8H,1-6,9H2
• InChIKey: JIAZNRIERWGWTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydro-1H-pyrrolo[2,1-c]morpholin-3-ylmethanamine
• IUPAC Traditional name: hexahydro-1H-pyrrolo[2,1-c]morpholin-3-ylmethanamine
• Synonyms: hexahydro-1H-pyrrolo[2,1-c]morpholin-3-ylmethanamine

Database IDs

• MDL Number: MFCD11934396
• PubChem SID: 164321745
• PubChem CID: 47002529

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.7494164
• LogD (pH = 7.4): -3.0971887
• Log P: -0.29998317
• Molar Refractivity: 43.8938 cm^3
• Polarizability: 17.75141 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.209

Product Information

• Purity: 95%