1-(3-aminopropyl)-N,N-dimethylpyrrolidine-2-carboxamide

• ChemBase ID: 267921
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: C(=O)(C1N(CCCN)CCC1)N(C)C
• Canonical SMILES: NCCCN1CCCC1C(=O)N(C)C
• InChI: InChI=1S/C10H21N3O/c1-12(2)10(14)9-5-3-7-13(9)8-4-6-11/h9H,3-8,11H2,1-2H3
• InChIKey: UPEMQWKACLUGAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminopropyl)-N,N-dimethylpyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-(3-aminopropyl)-N,N-dimethylpyrrolidine-2-carboxamide
• Synonyms: 1-(3-aminopropyl)-N,N-dimethylpyrrolidine-2-carboxamide

Database IDs

• MDL Number: MFCD12141889
• PubChem SID: 164323831
• PubChem CID: 43576055

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.075247
• LogD (pH = 7.4): -3.9195297
• Log P: -0.81070805
• Molar Refractivity: 57.7898 cm^3
• Polarizability: 22.680025 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.064

Product Information

• Purity: 95%