(cyclopropylmethyl)(oxolan-2-ylmethyl)amine

• ChemBase ID: 21854
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: C1CC1CNCC1OCCC1
• Canonical SMILES: C1COC(C1)CNCC1CC1
• InChI: InChI=1S/C9H17NO/c1-2-9(11-5-1)7-10-6-8-3-4-8/h8-10H,1-7H2
• InChIKey: DMMCSRZAOOXDCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(oxolan-2-ylmethyl)amine
• Synonyms: (cyclopropylmethyl)(tetrahydrofuran-2-ylmethyl)amine; N-(Cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)amine

Database IDs

• CAS Number: 356539-57-6
• MDL Number: MFCD03129360
• PubChem SID: 160985161
• PubChem CID: 3607647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2176292
• LogD (pH = 7.4): -1.5947703
• Log P: 1.0062878
• Molar Refractivity: 44.8901 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false