[1-(morpholin-4-yl)cyclopentyl]methanamine

• ChemBase ID: 33045
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(C2(CN)CCCC2)CCOCC1
• Canonical SMILES: NCC1(CCCC1)N1CCOCC1
• InChI: InChI=1S/C10H20N2O/c11-9-10(3-1-2-4-10)12-5-7-13-8-6-12/h1-9,11H2
• InChIKey: JNCPKKGFSCOURD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(morpholin-4-yl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(morpholin-4-yl)cyclopentyl]methanamine
• Synonyms: 1-(1-morpholin-4-ylcyclopentyl)methanamine; (1-Morpholin-4-ylcyclopentyl)methylamine

Database IDs

• CAS Number: 444666-61-9
• MDL Number: MFCD08703639
• PubChem SID: 160996352
• PubChem CID: 24690173

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3663976
• LogD (pH = 7.4): -1.5976708
• Log P: 0.4531558
• Molar Refractivity: 53.3152 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false