[(1-ethylpyrrolidin-2-yl)methyl](pyridin-4-ylmethyl)amine

• ChemBase ID: 14911
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: C1(N(CCC1)CC)CNCc1ccncc1
• Canonical SMILES: CCN1CCCC1CNCc1ccncc1
• InChI: InChI=1S/C13H21N3/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14-8-6-12/h5-8,13,15H,2-4,9-11H2,1H3
• InChIKey: DGPJTESPWRLSFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethylpyrrolidin-2-yl)methyl](pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(1-ethylpyrrolidin-2-yl)methyl](pyridin-4-ylmethyl)amine
• Synonyms: (1-Ethyl-pyrrolidin-2-ylmethyl)-pyridin-4-ylmethyl-amine; [(1-ethylpyrrolidin-2-yl)methyl](pyridin-4-ylmethyl)amine

Database IDs

• MDL Number: MFCD05238084
• PubChem SID: 160978218
• PubChem CID: 3157144

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4468954
• LogD (pH = 7.4): -1.0039274
• Log P: 1.1549392
• Molar Refractivity: 67.128 cm^3
• Polarizability: 26.508976 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.555

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%