1-(morpholin-4-ylmethyl)cyclopentan-1-amine

• ChemBase ID: 25270
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(CC2(N)CCCC2)CCOCC1
• Canonical SMILES: NC1(CCCC1)CN1CCOCC1
• InChI: InChI=1S/C10H20N2O/c11-10(3-1-2-4-10)9-12-5-7-13-8-6-12/h1-9,11H2
• InChIKey: PUXLUPPFIWESNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-ylmethyl)cyclopentan-1-amine
• IUPAC Traditional name: 1-(morpholin-4-ylmethyl)cyclopentan-1-amine
• Synonyms: 1-(Morpholin-4-ylmethyl)cyclopentanamine; 1-(4-morpholinylmethyl)cyclopentanamine

Database IDs

• CAS Number: 890095-97-3
• MDL Number: MFCD08445394
• PubChem SID: 160988577
• PubChem CID: 16765254

CALCULATED PROPERTIES

• 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
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1703956
• LogD (pH = 7.4): -1.9706395
• Log P: 0.4531558

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false