octahydropyrido[2,1-c]morpholin-3-ylmethanamine

• ChemBase ID: 244552
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N12CC(OCC1CCCC2)CN
• Canonical SMILES: NCC1OCC2N(C1)CCCC2
• InChI: InChI=1S/C9H18N2O/c10-5-9-6-11-4-2-1-3-8(11)7-12-9/h8-9H,1-7,10H2
• InChIKey: HGHFOXXRWZPFQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11934605
• PubChem SID: 164300462
• PubChem CID: 71683693

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.357407
• LogD (pH = 7.4): -2.024957
• Log P: 0.14458548
• Molar Refractivity: 48.4948 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.35

Product Information

• Purity: 95%