(2-methoxyethyl)(methyl)(pyrrolidin-2-ylmethyl)amine

• ChemBase ID: 269066
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1C(CN(CCOC)C)CCC1
• Canonical SMILES: COCCN(CC1CCCN1)C
• InChI: InChI=1S/C9H20N2O/c1-11(6-7-12-2)8-9-4-3-5-10-9/h9-10H,3-8H2,1-2H3
• InChIKey: RNVVBOHNENATDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(methyl)(pyrrolidin-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(methyl)(pyrrolidin-2-ylmethyl)amine
• Synonyms: (2-methoxyethyl)(methyl)(pyrrolidin-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD14664717
• PubChem SID: 164324976
• PubChem CID: 50989303

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9890738
• LogD (pH = 7.4): -2.8634353
• Log P: 0.24435508
• Molar Refractivity: 50.9672 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.99

Product Information

• Purity: 95%